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Murcko scaffold

Ring system with 4 rings and 20 atoms

26 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
20
Chemicals
26
With full pages
6
Scaffold SMILES

O=C1CCCC2=C1C(c1ccc3c(c1)OCO3)C=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.

Substructure search with this scaffold
Murcko scaffold O=C1CCCC2=C1C(c1ccc3c(c1)OCO3)C=CN2

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 26 of 26 chemicals

Methyl 2-methyl-4-(3,4-(methylenedioxy)phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C19H19NO5, CAS 139758-86-4
Methyl 2-methyl-4-(3,4-(methylenedioxy)phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 139758-86-4C19H19NO5
4-(6-Bromo-benzo[1,3]dioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid 2-isopropoxy-ethyl ester chemical structure, C23H26BrNO6, CAS 347352-03-8
4-(6-Bromo-benzo[1,3]dioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid 2-isopropoxy-ethyl ester
CAS 347352-03-8C23H26BrNO6
4-(1,3-Benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile chemical structure, C18H16N2O3, CAS 314051-91-7
4-(1,3-Benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS 314051-91-7C18H16N2O3
4-(1,3-Benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C20H20N2O3, CAS 333779-45-6
4-(1,3-Benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 333779-45-6C20H20N2O3
Ethyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C22H24N2O7, CAS 292855-61-9
Ethyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 292855-61-9C22H24N2O7
Ethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C20H21NO5, CAS 299407-02-6
Ethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 299407-02-6C20H21NO5
Propan-2-yl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate chemical structure, C21H22BrNO5, CAS 298706-68-0
Propan-2-yl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS 298706-68-0C21H22BrNO5
2-Methoxyethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C21H23NO6, CAS 299452-67-8
2-Methoxyethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299452-67-8C21H23NO6
Butyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C22H24BrNO5, CAS 299452-42-9
Butyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299452-42-9C22H24BrNO5
Butyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C24H28ClNO5, CAS 299450-35-4
Butyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299450-35-4C24H28ClNO5
2-Methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate chemical structure, C21H22BrNO6, CAS 299452-68-9
2-Methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS 299452-68-9C21H22BrNO6
Butyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C22H24ClNO5, CAS 5609-00-7
Butyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 5609-00-7C22H24ClNO5
2-Methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C23H26BrNO6, CAS 299450-56-9
2-Methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299450-56-9C23H26BrNO6
2-(Ethylsulfanyl)ethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C24H29NO5S, CAS 330208-83-8
2-(Ethylsulfanyl)ethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 330208-83-8C24H29NO5S
2-(Ethylsulfanyl)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C22H24BrNO5S, CAS 330216-21-2
2-(Ethylsulfanyl)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 330216-21-2C22H24BrNO5S
2-Propoxyethyl nedicarboxylate chemical structure, C23H27NO6, CAS 347326-91-4
2-Propoxyethyl nedicarboxylate
CAS 347326-91-4C23H27NO6
2-Propoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C25H30BrNO6, CAS 347328-77-2
2-Propoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 347328-77-2C25H30BrNO6
Isopropyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C23H26BrNO5, CAS 300667-68-9
Isopropyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 300667-68-9C23H26BrNO5
2-Methoxyethyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C23H26N2O8, CAS 299450-57-0
2-Methoxyethyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299450-57-0C23H26N2O8
Methyl 2-((4-(benzo[d][1,3]dioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetate chemical structure, C20H18N2O5S, CAS 370854-26-5
Methyl 2-((4-(benzo[d][1,3]dioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetate
CAS 370854-26-5C20H18N2O5S
4-(1,3-Benzodioxol-5-yl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C18H16N2O3S, CAS 421573-54-8
4-(1,3-Benzodioxol-5-yl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 421573-54-8C18H16N2O3S
Ethyl 2-ethyl-7,7-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C23H26N2O7, CAS 292855-62-0
Ethyl 2-ethyl-7,7-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 292855-62-0C23H26N2O7
Ethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C22H25NO5, CAS 292853-26-0
Ethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 292853-26-0C22H25NO5
Propyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C23H27NO5, CAS 299450-06-9
Propyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 299450-06-9C23H27NO5