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Murcko scaffold

Isoquinoline-1,3,4-trione scaffold

14 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
13
Chemicals
14
With full pages
3
Scaffold SMILES

O=C1NC(=O)c2ccccc2C1=O

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 Isoquinoline-1,3,4-trione page
Murcko scaffold O=C1NC(=O)c2ccccc2C1=O

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 14 of 14 chemicals

Isoquinoline-1,3,4-trione chemical structure, C9H5NO3, CAS 521-73-3
Isoquinoline-1,3,4-trione
CAS 521-73-3C9H5NO3
Isoquinoline-1,3,4-trione, 2-ethyl- chemical structure, C11H9NO3, CAS 20863-88-1
Isoquinoline-1,3,4-trione, 2-ethyl-
CAS 20863-88-1C11H9NO3
2-Methylisoquinoline-1,3,4(2H)-trione chemical structure, C10H7NO3, CAS 21640-33-5
2-Methylisoquinoline-1,3,4(2H)-trione
CAS 21640-33-5C10H7NO3
1,3,4(2H)-Isoquinolinetrione, 2-(2-propenyl)- chemical structure, C12H9NO3, CAS 807334-89-0
1,3,4(2H)-Isoquinolinetrione, 2-(2-propenyl)-
CAS 807334-89-0C12H9NO3
6,7-Dimethoxyisoquinoline-1,3,4(2H)-trione chemical structure, C11H9NO5, CAS 62809-04-5
6,7-Dimethoxyisoquinoline-1,3,4(2H)-trione
CAS 62809-04-5C11H9NO5
6,7-Dimethoxy-2-methylisoquinoline-1,3,4-trione chemical structure, C12H11NO5, CAS 38973-41-0
6,7-Dimethoxy-2-methylisoquinoline-1,3,4-trione
CAS 38973-41-0C12H11NO5
5,7-Dimethoxy-2-methylisoquinoline-1,3,4(2H)-trione chemical structure, C12H11NO5, CAS 74826-32-7
5,7-Dimethoxy-2-methylisoquinoline-1,3,4(2H)-trione
CAS 74826-32-7C12H11NO5
2-Ethyl-1,2,3,4-tetrahydro-1,3,4-trioxo-5-isoquinolinecarboxamide chemical structure, C12H10N2O4, CAS 161426-76-2
2-Ethyl-1,2,3,4-tetrahydro-1,3,4-trioxo-5-isoquinolinecarboxamide
CAS 161426-76-2C12H10N2O4
2-Ethyl-5,7-dimethoxyisoquinoline-1,3,4(2H)-trione chemical structure, C13H13NO5, CAS 161426-82-0
2-Ethyl-5,7-dimethoxyisoquinoline-1,3,4(2H)-trione
CAS 161426-82-0C13H13NO5
N,2-Diethyl-1,3,4-trioxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide chemical structure, C14H14N2O4, CAS 161426-73-9
N,2-Diethyl-1,3,4-trioxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CAS 161426-73-9C14H14N2O4
5,6,7,8-Tetrafluoroisoquinoline-1,3,4(2H)-trione chemical structure, C9HF4NO3, CAS 61927-20-6
5,6,7,8-Tetrafluoroisoquinoline-1,3,4(2H)-trione
CAS 61927-20-6C9HF4NO3
2-Ethyl-5,6,7-trimethoxyisoquinoline-1,3,4(2H)-trione chemical structure, C14H15NO6, CAS 161426-71-7
2-Ethyl-5,6,7-trimethoxyisoquinoline-1,3,4(2H)-trione
CAS 161426-71-7C14H15NO6
2-(1,3,4-Trioxo-3,4-dihydroisoquinolin-2(1H)-yl)acetic acid chemical structure, C11H7NO5, CAS 161426-90-0
2-(1,3,4-Trioxo-3,4-dihydroisoquinolin-2(1H)-yl)acetic acid
CAS 161426-90-0C11H7NO5
7-Bromo-1,2,3,4-tetrahydroisoquinoline-1,3,4-trione chemical structure, C9H4BrNO3, CAS 1417641-88-3
7-Bromo-1,2,3,4-tetrahydroisoquinoline-1,3,4-trione
CAS 1417641-88-3C9H4BrNO3