CompoundList
Sign in
Murcko scaffold

Ring system with 4 rings and 25 atoms

30 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
30
With full pages
6
Scaffold SMILES

c1ccc(COc2ccc(Nc3ccnc4ccccc34)cc2)nc1

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 c1ccc(COc2ccc(Nc3ccnc4ccccc34)cc2)nc1

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 30 of 30 chemicals

Neratinib chemical structure, C30H29ClN6O3, CAS 698387-09-6
Neratinib
CAS 698387-09-6C30H29ClN6O3
N-Desmethyl neratinib chemical structure, C29H27ClN6O3, CAS 915788-27-1
N-Desmethyl neratinib
CAS 915788-27-1C29H27ClN6O3
Neratinib maleate monohydrate chemical structure, C34H35ClN6O8, CAS 1144516-12-0
Neratinib maleate monohydrate
CAS 1144516-12-0C34H35ClN6O8
2-((4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)amino)-2-oxoacetic acid (Neratinib Impurity) chemical structure, C26H20ClN5O5, CAS 1144516-13-1
2-((4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)amino)-2-oxoacetic acid (Neratinib Impurity)
CAS 1144516-13-1C26H20ClN5O5
N1-(4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)oxalamide chemical structure, C26H21ClN6O4, CAS 1144516-14-2
N1-(4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)oxalamide
CAS 1144516-14-2C26H21ClN6O4
6-Amino-4-(3-chloro-4-(pyrid-2-ylmethoxy)phenylamino)-7-ethoxyquinoline-3-carbonitrile chemical structure, C24H20ClN5O2, CAS 848139-78-6
6-Amino-4-(3-chloro-4-(pyrid-2-ylmethoxy)phenylamino)-7-ethoxyquinoline-3-carbonitrile
CAS 848139-78-6C24H20ClN5O2
Neratinib impurity 9 chemical structure, C32H36ClN7O3, CAS 1144516-16-4
Neratinib impurity 9
CAS 1144516-16-4C32H36ClN7O3
4-[3-Chloro-4-[(2-pyridyl)methoxy]anilino]-3-cyano-7-ethoxy-6-(N-acetyl amino)quinoline chemical structure, C26H22ClN5O3, CAS 915941-95-6
4-[3-Chloro-4-[(2-pyridyl)methoxy]anilino]-3-cyano-7-ethoxy-6-(N-acetyl amino)quinoline
CAS 915941-95-6C26H22ClN5O3
(E)-4-((4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)amino)-N,N,N-trimethyl-4-oxobut-2-en-1-aminium chemical structure, C31H32ClN6O3+, CAS 1144516-18-6
(E)-4-((4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)amino)-N,N,N-trimethyl-4-oxobut-2-en-1-aminium
CAS 1144516-18-6C31H32ClN6O3+
N1-(4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-N2,N2-dimethyloxalamide chemical structure, C28H25ClN6O4, CAS 1144516-19-7
N1-(4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-N2,N2-dimethyloxalamide
CAS 1144516-19-7C28H25ClN6O4
Neratinib-d6 chemical structure, C30H29ClN6O3, CAS 1259519-18-0
Neratinib-d6
CAS 1259519-18-0C30H29ClN6O3
N-[4-[3-Chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide chemical structure, C30H29ClN6O3, CAS 876310-02-0
N-[4-[3-Chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
CAS 876310-02-0C30H29ClN6O3
N-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]formamide chemical structure, C25H20ClN5O3, CAS 1144516-20-0
N-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]formamide
CAS 1144516-20-0C25H20ClN5O3
(E)-4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-6-(4-(dimethylamino)but-2-enamido)-7-ethoxyquinoline 1-oxide chemical structure, C30H29ClN6O4, CAS 1348481-03-7
(E)-4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-6-(4-(dimethylamino)but-2-enamido)-7-ethoxyquinoline 1-oxide
CAS 1348481-03-7C30H29ClN6O4
Neratinib maleate chemical structure, C34H33ClN6O7, CAS 915942-22-2
Neratinib maleate
CAS 915942-22-2C34H33ClN6O7
6-Amino-4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-7-ethoxyquinoline-3-carbonitrile (Hydrochloride) chemical structure, C24H21Cl2N5O2, CAS 915942-01-7
6-Amino-4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-7-ethoxyquinoline-3-carbonitrile (Hydrochloride)
CAS 915942-01-7C24H21Cl2N5O2
Neratinib impurity QL chemical structure, C30H30N6O3, CAS 1469746-91-5
Neratinib impurity QL
CAS 1469746-91-5C30H30N6O3
(E)-N-(4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(methylamino)but-2-enamide Hydrochloride chemical structure, C29H28Cl2N6O3, CAS 915788-28-2
(E)-N-(4-((3-Chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(methylamino)but-2-enamide Hydrochloride
CAS 915788-28-2C29H28Cl2N6O3
Diethyl (2-((4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)amino)-2-oxoethyl)phosphonate chemical structure, C30H31ClN5O6P, CAS 1269662-79-4
Diethyl (2-((4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)amino)-2-oxoethyl)phosphonate
CAS 1269662-79-4C30H31ClN5O6P
Neratinib dimethylamine N-oxide chemical structure, C30H29ClN6O4, CAS 1376615-55-2
Neratinib dimethylamine N-oxide
CAS 1376615-55-2C30H29ClN6O4
Neratinib impurity 67 chemical structure, C25H22ClN5O2, CAS 2057445-26-6
Neratinib impurity 67
CAS 2057445-26-6C25H22ClN5O2
cis-Neratinib chemical structure, C30H29ClN6O3, CAS 2186660-79-5
cis-Neratinib
CAS 2186660-79-5C30H29ClN6O3
Neratinib pyridine N-oxide chemical structure, C30H29ClN6O4, CAS 1376619-94-1
Neratinib pyridine N-oxide
CAS 1376619-94-1C30H29ClN6O4
(2E)-N-(4-((3-Chloro-4-(2-pyridinylmethoxy)phenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-2-butenamide chemical structure, C28H24ClN5O3, CAS 1403831-80-0
(2E)-N-(4-((3-Chloro-4-(2-pyridinylmethoxy)phenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-2-butenamide
CAS 1403831-80-0C28H24ClN5O3