Molecule ID: 135886635

IUPAC Name: (Z)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2,4-dichlorophenyl)-3-hydroxyprop-2-enenitrile

Description: The molecule is a member of the class of quinazolines that functions as a ATPase motor cytoplasmic dynein inhibitor. It has a role as an ATPase motor cytoplasmic dynein inhibitor. It is an enone, a dichlorobenzene, a nitrile and a member of quinazolines.

SMILES: N#C/C(=C(/O)c1ccc(Cl)cc1Cl)c1nc(O)c2ccc(Cl)cc2n1

SELFIES: [N][#C][/C][=Branch1][P][=C][Branch1][C][/O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=N][C][Branch1][C][O][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][N]

InChI: InChI=1S/C17H8Cl3N3O2/c18-8-1-3-10(13(20)5-8)15(24)12(7-21)16-22-14-6-9(19)2-4-11(14)17(25)23-16/h1-6,24H,(H,22,23,25)/b15-12-

Molecular Properties:
- Polar Surface Area: 85.5 Ų
- LogP: 4.0