Molecule ID: 16759369

IUPAC Name: 4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol

Description: The molecule is a member of the class of quinazolines carrying 2-fluoro-4-methyl-5-hydroxyanilino and benzyloxy substituents at positions 4 and 7 respectively. It has a role as a vascular endothelial growth factor receptor antagonist. It is a benzyl ether, an aromatic ether, a member of quinazolines, a secondary amino compound, a substituted aniline, a halophenol, a member of monofluorobenzenes, an organic cation and a fluorophenol. It is a conjugate base of a ZM 323881(1+).

SMILES: Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O

SELFIES: [C][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][=N][N][C][=N][C][=N][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch2][O]

InChI: InChI=1S/C22H18FN3O2/c1-14-9-18(23)20(11-21(14)27)26-22-17-8-7-16(10-19(17)24-13-25-22)28-12-15-5-3-2-4-6-15/h2-11,13,27H,12H2,1H3,(H,24,25,26)

Molecular Properties:
- Polar Surface Area: 67.3 Ų
- LogP: 5.0