6,7-dimethoxy-3-methyl-3,4-dihydroquinazolin-4-one

• ChemBase ID: 221684
• Molecular Formular: C11H12N2O3
• Molecular Mass: 220.22458
• Monoisotopic Mass: 220.08479225
• SMILES: c12c(=O)n(cnc1cc(c(c2)OC)OC)C
• Canonical SMILES: COc1cc2c(cc1OC)ncn(c2=O)C
• InChI: InChI=1S/C11H12N2O3/c1-13-6-12-8-5-10(16-3)9(15-2)4-7(8)11(13)14/h4-6H,1-3H3
• InChIKey: OJZARWXFPRLPGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-3-methyl-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 6,7-dimethoxy-3-methylquinazolin-4-one

Database IDs

• PubChem SID: 164277594
• PubChem CID: 12246252

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6311594
• LogD (pH = 7.4): 0.63305116
• Log P: 0.63307536
• Molar Refractivity: 60.7225 cm^3
• Polarizability: 21.901306 Å^3
• Polar Surface Area: 51.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds