AC1OB3MS

2-(2,4-dimethylphenyl)-4-[(1-ethylpyrrolidin-2-yl)methyliminomethyl]-3-hydroxyisoquinolin-1-one

Also Known As: 2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione|(4E)-2-(2,4-dimethylphenyl)-4-({[(1-ethylpyrrolidin-2-yl)methyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione|(4E)-2-(2,4-dimethylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione|(E)-2-(2,4-dimethylphenyl)-4-((((1-ethylpyrrolidin-2-yl)methyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione

Molecular Formula	C25H29N3O2
Molecular Weight	403.22598 g/mol
LogP	4.21634
Topological Polar Surface Area	57.83 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	403.22598
Monoisotopic Mass	403.22598
Heavy Atoms	30
Complexity	1163.0028

Chemical Identifiers

CAS Number	896827-07-9
SMILES	CCN1CCCC1CN=CC2=C(N(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)C)C)O