Molecule ID: 4708

IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-enamide

Description: The molecule is a member of the class of quinazolines carrying bromoanilino and acrylamido substituents at positions 4 and 6 respectively. It has a role as an epidermal growth factor receptor antagonist. It is a member of quinazolines, a member of acrylamides, a substituted aniline, a member of bromobenzenes and a secondary carboxamide.

SMILES: C=CC(O)=Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

SELFIES: [C][=C][C][Branch1][C][O][=N][C][=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][Ring2][Ring1][C]

InChI: InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)

Molecular Properties:
- Polar Surface Area: 66.9 Ų
- LogP: 3.9