Molecule ID: 136171438

IUPAC Name: 2-(4-hydroxybenzoyl)-3H-quinazolin-4-one

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

SMILES: O=C(c1ccc(O)cc1)c1nc(O)c2ccccc2n1

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

InChI: InChI=1S/C15H10N2O3/c18-10-7-5-9(6-8-10)13(19)14-16-12-4-2-1-3-11(12)15(20)17-14/h1-8,18H,(H,16,17,20)

Molecular Properties:
- Polar Surface Area: 78.8 Ų
- LogP: 1.9