Molecule ID: 53356217

IUPAC Name: (3S,3aR)-3-(4-hydroxyphenyl)-3a,4-dihydro-3H-imidazo[1,5-a]quinazolin-5-one

Description: The molecule is an alkaloid that is 3a,4-dihydroimidazo[1,5-a]quinazolin-5(3H)-one substituted by a 4-hydroxyphenyl group at position 3. It has been isolated from Penicillium paneum. It has a role as a Penicillium metabolite. It is an organic heterotricyclic compound, an alkaloid and a member of phenols.

SMILES: OC1=N[C@H]2[C@H](c3ccc(O)cc3)N=CN2c2ccccc21

SELFIES: [O][C][=N][C@H1][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]

InChI: InChI=1S/C16H13N3O2/c20-11-7-5-10(6-8-11)14-15-18-16(21)12-3-1-2-4-13(12)19(15)9-17-14/h1-9,14-15,20H,(H,18,21)/t14-,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 64.9 Ų
- LogP: 1.5