Murcko scaffold
Ring system with 4 rings and 27 atoms
86 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 27
- Chemicals
- 86
- With full pages
- 2
Scaffold SMILES
O=C1CCCC2=C1C(c1ccccc1)C(C(=O)OCc1ccccc1)=CN2
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 48 of 86 chemicals
2-Methyl-5-oxo-4-(4-trifluoromethyl-phenyl)-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid benzyl ester
CAS 346716-12-9C25H22F3NO3
Benzyl 2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 347324-55-4C25H25NO3
Benzyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 295344-26-2C26H26INO3
Benzyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299453-82-0C25H24BrNO5
Benzyl 4-(2-butoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS 331443-10-8C28H31NO4
![Benzyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C26H25NO5, CAS 299946-65-9](/s/VUFSTPBNSHUMHT-UHFFFAOYSA-N.svg)
Benzyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299946-65-9C26H25NO5
Benzyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299946-54-6C26H26ClNO3
Benzyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299451-31-3C26H26ClNO3
Benzyl 4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS 299947-54-9C24H22BrNO3
Benzyl 4-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 299949-18-1C24H22FNO3
Benzyl 2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299453-67-1C27H29NO4
![Benzyl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C27H29NO4, CAS 299453-68-2](/s/DJZBLXGFFYGOPQ-UHFFFAOYSA-N.svg)
Benzyl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299453-68-2C27H29NO4
Benzyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS 299453-83-1C25H24ClNO5
Benzyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299453-72-8C26H27NO5
Benzyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CAS 5474-31-7C26H26BrNO3
Benzyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299946-92-2C27H29NO6
Benzyl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CAS 5475-57-0C26H25Cl2NO3
Benzyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299946-49-9C26H27NO3
Benzyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299946-14-8C26H27NO5
![Benzyl 4-[4-(acetyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C28H29NO5, CAS 347320-85-8](/s/FAZOQLCWZUVIKA-UHFFFAOYSA-N.svg)
Benzyl 4-[4-(acetyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 347320-85-8C28H29NO5
![Benzyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C26H25NO5, CAS 299948-51-9](/s/NFRRZBKEFJOPDY-UHFFFAOYSA-N.svg)
Benzyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299948-51-9C26H25NO5
Benzyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 331443-12-0C25H24BrNO4
![Benzyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C26H28N2O3, CAS 299453-89-7](/s/SDMMNAOPODVPPE-UHFFFAOYSA-N.svg)
Benzyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299453-89-7C26H28N2O3
Benzyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299451-33-5C26H27NO3
- 4-Methoxybenzyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate330848-84-5C30H35NO7
- (4-Methoxyphenyl)methyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate329072-24-4C31H37NO6
- 4-Methoxybenzyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate347351-32-0C29H33NO5
- 4-Methoxybenzyl 4-(3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate329072-33-5C26H27NO5
- 4-Methoxybenzyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate329072-57-3C28H31NO6
- 4-Methoxybenzyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate347352-90-3C28H31NO4S
- 4-Methoxybenzyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate330675-02-0C27H29NO6
- 4-Methoxybenzyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate347352-86-7C27H30N2O4
- 4-Methoxybenzyl 4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate330646-34-9C25H24BrNO4
- 4-Methoxybenzyl 4-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate329072-00-6C25H24FNO4
- (4-Methoxyphenyl)methyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate329072-28-8C28H31NO7
- 4-Methoxybenzyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate330847-62-6C28H30ClNO6
- 4-Methoxybenzyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate347352-74-3C27H29NO6
- 4-Methoxybenzyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate347352-36-7C28H31NO7
- Bas 014041415713-52-0C27H29NO4
- (4-Methoxyphenyl)methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate330848-27-6C27H28BrNO6
- 4-Methoxybenzyl 4-(2,4-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate347352-48-1C25H23Cl2NO4
- 4-Methoxybenzyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate329072-26-6C27H29NO6
- 4-Methoxybenzyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate347352-44-7C29H33NO5
- 4-Methoxybenzyl 4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate312527-60-9C28H30BrNO5
- 4-Methoxybenzyl 4-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate306749-94-0C25H24ClNO4
- 4-Methoxybenzyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate347352-32-3C28H29NO7
- 4-Methoxybenzyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate329072-30-2C27H28ClNO4
- 4-Methoxybenzyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate306752-24-9C26H26BrNO6
Related scaffolds
Same ring framework with different atoms or bond orders
O=C(OCc1ccccc1)C1=CN=C2SCCC(=O)N2C1c1ccccc18 chemicals![Scaffold O=c1[nH]c2ccccc2c(-c2ccccc2)c1CNS(=O)(=O)c1ccccc1](/scaffold/WUOOFUMZBNQMNT-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c2ccccc2c(-c2ccccc2)c1CNS(=O)(=O)c1ccccc12 chemicals
O=C(CN1CCC2CCCCC2C1c1ccccc1)Nc1ccccc11 chemical![Scaffold O=C(C=Cc1ccccc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O](/scaffold/JEJZROYEQZOSRD-UHFFFAOYSA-N/structure.svg)
O=C(C=Cc1ccccc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O1 chemical![Scaffold O=C(C=Cc1cccnc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O](/scaffold/UOERWAOIWPFBRM-UHFFFAOYSA-N/structure.svg)
O=C(C=Cc1cccnc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O1 chemical![Scaffold O=C(CN1CCOCC1)Nc1c(-c2ccccc2)c2ccccc2[nH]c1=O](/scaffold/VVVUJUKHKLZEHV-UHFFFAOYSA-N/structure.svg)
O=C(CN1CCOCC1)Nc1c(-c2ccccc2)c2ccccc2[nH]c1=O1 chemical