2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)-N-(propan-2-yl)acetamide

• ChemBase ID: 221694
• Molecular Formular: C15H19N3O4
• Molecular Mass: 305.32906
• Monoisotopic Mass: 305.1375561
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)NC(C)C
• Canonical SMILES: COc1cc2c(cc1OC)ncn(c2=O)CC(=O)NC(C)C
• InChI: InChI=1S/C15H19N3O4/c1-9(2)17-14(19)7-18-8-16-11-6-13(22-4)12(21-3)5-10(11)15(18)20/h5-6,8-9H,7H2,1-4H3,(H,17,19)
• InChIKey: WIWZIXXOJVYXJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)-N-(propan-2-yl)acetamide
• IUPAC Traditional name: 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-isopropylacetamide

Database IDs

• PubChem SID: 164277604
• PubChem CID: 17419225

CALCULATED PROPERTIES

• Acid pKa: 14.439793
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.30066162
• LogD (pH = 7.4): 0.30116856
• Log P: 0.30117506
• Molar Refractivity: 82.6934 cm^3
• Polarizability: 30.499569 Å^3
• Polar Surface Area: 80.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds