6-methoxy-2-methyl-3,4-dihydroquinazolin-4-one

• ChemBase ID: 192172
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: c1(=O)c2c(nc([nH]1)C)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)[nH]c(n2)C
• InChI: InChI=1S/C10H10N2O2/c1-6-11-9-4-3-7(14-2)5-8(9)10(13)12-6/h3-5H,1-2H3,(H,11,12,13)
• InChIKey: JOGHWTUPCJOYMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-methyl-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 6-methoxy-2-methyl-3H-quinazolin-4-one

Database IDs

• PubChem SID: 164248082
• PubChem CID: 654923

CALCULATED PROPERTIES

• Acid pKa: 9.921428
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.59040225
• LogD (pH = 7.4): 0.61594915
• Log P: 0.6157692
• Molar Refractivity: 53.8531 cm^3
• Polarizability: 19.3565 Å^3
• Polar Surface Area: 50.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds