Molecule ID: 136026468

IUPAC Name: 2-[(4-hydroxyphenyl)methyl]-3H-quinazolin-4-one

Description: The molecule is a quinazoline alkaloid that is quinazolin-4(3H)-one substituted by a 4-hydroxybenzyl group at position 2. It has been isolated from Penicillium paneum and Isaria farinosa. It has a role as a Penicillium metabolite. It is a member of quinazolines and a member of phenols.

SMILES: Oc1ccc(Cc2nc(O)c3ccccc3n2)cc1

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

InChI: InChI=1S/C15H12N2O2/c18-11-7-5-10(6-8-11)9-14-16-13-4-2-1-3-12(13)15(19)17-14/h1-8,18H,9H2,(H,16,17,19)

Molecular Properties:
- Polar Surface Area: 61.7 Ų
- LogP: 1.9