CompoundList
Sign in
Murcko scaffold

Ring system with 3 rings and 17 atoms

505 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
505
With full pages
48
Scaffold SMILES

O=C1CCCC2=C1C(c1ccccc1)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(c1ccccc1)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 48 of 505 chemicals

3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-phenyl-, ethyl ester chemical structure, C21H25NO3, CAS 13337-64-9
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-phenyl-, ethyl ester
CAS 13337-64-9C21H25NO3
2,7,7-Trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile chemical structure, C19H20N2O, CAS 19732-57-1
2,7,7-Trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS 19732-57-1C19H20N2O
Methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C18H17F2NO3, CAS 347316-35-2
Methyl 4-(2,5-difluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 347316-35-2C18H17F2NO3
Methyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C19H18F3NO3, CAS 347312-78-1
Methyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 347312-78-1C19H18F3NO3
Methyl 4-(3-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C18H18INO3, CAS 298706-76-0
Methyl 4-(3-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 298706-76-0C18H18INO3
Methyl 4-(2-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C18H18INO3, CAS 299407-32-2
Methyl 4-(2-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299407-32-2C18H18INO3
Ethyl 4-(3-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C19H20INO3, CAS 298706-74-8
Ethyl 4-(3-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 298706-74-8C19H20INO3
Butyl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C24H31NO5, CAS 5477-26-9
Butyl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 5477-26-9C24H31NO5
4-(2-Iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile chemical structure, C19H19IN2O, CAS 314052-40-9
4-(2-Iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CAS 314052-40-9C19H19IN2O
2-Methoxyethyl 4-[4-(diethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C26H36N2O4, CAS 299450-68-3
2-Methoxyethyl 4-[4-(diethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 299450-68-3C26H36N2O4
4-(4-Methoxyphenyl)-7,7-dimethyl-2-(methylthio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile chemical structure, C20H22N2O2S, CAS 612054-27-0
4-(4-Methoxyphenyl)-7,7-dimethyl-2-(methylthio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS 612054-27-0C20H22N2O2S
Ethyl 2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C19H21NO3, CAS 33323-03-4
Ethyl 2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 33323-03-4C19H21NO3
4-(3-Ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C21H24N2O3, CAS 860611-70-7
4-(3-Ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 860611-70-7C21H24N2O3
1,4,5,6,7,8-Hexahydro-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-3-quinolinecarbonitrile chemical structure, C20H22N2O, CAS 860611-67-2
1,4,5,6,7,8-Hexahydro-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-3-quinolinecarbonitrile
CAS 860611-67-2C20H22N2O
1,4,5,6,7,8-Hexahydro-2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3-quinolinecarbonitrile chemical structure, C22H26N2O4, CAS 78050-81-4
1,4,5,6,7,8-Hexahydro-2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3-quinolinecarbonitrile
CAS 78050-81-4C22H26N2O4
4-(3-Methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C20H22N2O2, CAS 342046-22-4
4-(3-Methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 342046-22-4C20H22N2O2
4-(4-Ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile chemical structure, C21H24N2O, CAS 5712-36-7
4-(4-Ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS 5712-36-7C21H24N2O
4-(4-Fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C19H19FN2O, CAS 452923-06-7
4-(4-Fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 452923-06-7C19H19FN2O
Ethyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate chemical structure, C21H24BrNO3, CAS 292853-25-9
Ethyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS 292853-25-9C21H24BrNO3
Methyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C22H27NO4, CAS 292852-20-1
Methyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 292852-20-1C22H27NO4
Ethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C21H24FNO3, CAS 303101-06-6
Ethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 303101-06-6C21H24FNO3
Methyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C20H22INO3, CAS 292852-41-6
Methyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 292852-41-6C20H22INO3
Ethyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C21H25NO4, CAS 292852-47-2
Ethyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS 292852-47-2C21H25NO4
Methyl 1,4,5,6,7,8-hexahydro-4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-3-quinolinecarboxylate chemical structure, C20H23NO4, CAS 292852-48-3
Methyl 1,4,5,6,7,8-hexahydro-4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-3-quinolinecarboxylate
CAS 292852-48-3C20H23NO4