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Murcko scaffold

2,3,5,6,7,8-Hexahydroisoquinolin-3-one scaffold

37 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
11
Chemicals
37
With full pages
5
Scaffold SMILES

O=c1cc2c(c[nH]1)CCCC2

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 scaffoldOpen the 2,3,5,6,7,8-Hexahydroisoquinolin-3-one page
Murcko scaffold O=c1cc2c(c[nH]1)CCCC2

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 37 of 37 chemicals

5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminoethyl)-2-propylisoquinolin-1(2H)-one chemical structure, C14H20N2O2, CAS 89246-43-5
5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminoethyl)-2-propylisoquinolin-1(2H)-one
CAS 89246-43-5C14H20N2O2
5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one chemical structure, C12H16N2O2, CAS 89246-47-9
5,6,7,8-Tetrahydro-3-hydroxy-4-(1-iminomethyl)-2-methylisoquinolin-1(2H)-one
CAS 89246-47-9C12H16N2O2
2-Ethyl-3-hydroxy-4-(1-iminoethyl)-5,6,7,8-tetrahydroisoquinolin-1(2H)-one chemical structure, C13H18N2O2, CAS 89246-48-0
2-Ethyl-3-hydroxy-4-(1-iminoethyl)-5,6,7,8-tetrahydroisoquinolin-1(2H)-one
CAS 89246-48-0C13H18N2O2
5,6,7,8-Tetrahydro-2-butyl-3-hydroxy-4-(1-iminoethyl)isoquinolin-1(2H)-one chemical structure, C15H22N2O2, CAS 89246-50-4
5,6,7,8-Tetrahydro-2-butyl-3-hydroxy-4-(1-iminoethyl)isoquinolin-1(2H)-one
CAS 89246-50-4C15H22N2O2
5,6,7,8-Tetrahydro-2-hexyl-3-hydroxy-4-(1-iminoethyl)isoquinolin-1(2H)-one chemical structure, C17H26N2O2, CAS 89246-51-5
5,6,7,8-Tetrahydro-2-hexyl-3-hydroxy-4-(1-iminoethyl)isoquinolin-1(2H)-one
CAS 89246-51-5C17H26N2O2
3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)- chemical structure, C13H18N2O2, CAS 89246-74-2
3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)-
CAS 89246-74-2C13H18N2O2
3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy- chemical structure, C14H20N2O2, CAS 89246-75-3
3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-propoxy-
CAS 89246-75-3C14H20N2O2
3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-(1-methylethoxy)- chemical structure, C14H20N2O2, CAS 89246-76-4
3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-(1-methylethoxy)-
CAS 89246-76-4C14H20N2O2
3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)- chemical structure, C17H26N2O2, CAS 89246-77-5
3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)-
CAS 89246-77-5C17H26N2O2
1-Hydroxy-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile chemical structure, C10H10N2O2, CAS 52903-71-6
1-Hydroxy-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CAS 52903-71-6C10H10N2O2
Ethyl 3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxylate chemical structure, C12H15NO3, CAS 105340-73-6
Ethyl 3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxylate
CAS 105340-73-6C12H15NO3
3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide chemical structure, C10H12N2O2, CAS 26862-51-1
3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
CAS 26862-51-1C10H12N2O2
1-Ethyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile chemical structure, C12H14N2O, CAS 53661-27-1
1-Ethyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CAS 53661-27-1C12H14N2O
3-Hydroxy-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile chemical structure, C11H12N2O, CAS 17012-30-5
3-Hydroxy-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CAS 17012-30-5C11H12N2O
1-Isopropyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile chemical structure, C13H16N2O, CAS 371930-42-6
1-Isopropyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CAS 371930-42-6C13H16N2O
4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one chemical structure, C12H15NO2, CAS 107190-04-5
4-Acetyl-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one
CAS 107190-04-5C12H15NO2
3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile chemical structure, C13H16N2O, CAS 117960-35-7
3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CAS 117960-35-7C13H16N2O
4-Amino-5,6,7,8-tetrahydro-1-methyl-3(2H)-isoquinolinone chemical structure, C10H14N2O, CAS 143708-27-4
4-Amino-5,6,7,8-tetrahydro-1-methyl-3(2H)-isoquinolinone
CAS 143708-27-4C10H14N2O
2,3,5,6,7,8-Hexahydro-1-methyl-4-nitro-3-oxoisoquinoline chemical structure, C10H12N2O3, CAS 107190-03-4
2,3,5,6,7,8-Hexahydro-1-methyl-4-nitro-3-oxoisoquinoline
CAS 107190-03-4C10H12N2O3
1-Methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one chemical structure, C10H13NO, CAS 17012-33-8
1-Methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one
CAS 17012-33-8C10H13NO
3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile chemical structure, C10H10N2O, CAS 53661-31-7
3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CAS 53661-31-7C10H10N2O
1-Ethyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one chemical structure, C11H15NO, CAS 61704-68-5
1-Ethyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
CAS 61704-68-5C11H15NO
1-Propyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one chemical structure, C12H17NO, CAS 61704-69-6
1-Propyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
CAS 61704-69-6C12H17NO
3-Hydroxy-5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid chemical structure, C10H11NO3, CAS 102236-82-8
3-Hydroxy-5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid
CAS 102236-82-8C10H11NO3