Molecule ID: 11246488

IUPAC Name: N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride

Description: The molecule is a hydrochloride obtained by combining PD-153035 with one equivalent of hydrochloric acid. It has a role as an epidermal growth factor receptor antagonist and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It contains a PD-153035(1+).

SMILES: COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC.Cl

SELFIES: [C][O][C][=C][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][C][O][C].[Cl]

InChI: InChI=1S/C16H14BrN3O2.ClH/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11;/h3-9H,1-2H3,(H,18,19,20);1H

Molecular Properties:
- Polar Surface Area: 56.3 Ų
- LogP: nan