Molecule ID: 4523899

IUPAC Name: N-[3-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]phenyl]acetamide

Description: The molecule is a member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by 2-fluorophenyl and (3-acetamidophenyl)nitrilo groups, respectively. It is a member of quinazolines, a secondary amino compound, an aromatic amine, an acetamide, a member of monofluorobenzenes and a substituted aniline.

SMILES: CC(O)=Nc1cccc(N=c2[nH]c(-c3ccccc3F)nc3ccccc23)c1

SELFIES: [C][C][Branch1][C][O][=N][C][=C][C][=C][C][Branch2][Ring1][O][N][=C][NH1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][=C][Ring2][Ring1][Branch2]

InChI: InChI=1S/C22H17FN4O/c1-14(28)24-15-7-6-8-16(13-15)25-22-18-10-3-5-12-20(18)26-21(27-22)17-9-2-4-11-19(17)23/h2-13H,1H3,(H,24,28)(H,25,26,27)

Molecular Properties:
- Polar Surface Area: 66.9 Ų
- LogP: 4.4