3-[2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]-N-(propan-2-yl)propanamide

• ChemBase ID: 221718
• Molecular Formular: C18H24N4O5
• Molecular Mass: 376.40696
• Monoisotopic Mass: 376.17466989
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)NCCC(=O)NC(C)C
• Canonical SMILES: COc1cc2c(cc1OC)ncn(c2=O)CC(=O)NCCC(=O)NC(C)C
• InChI: InChI=1S/C18H24N4O5/c1-11(2)21-16(23)5-6-19-17(24)9-22-10-20-13-8-15(27-4)14(26-3)7-12(13)18(22)25/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,24)(H,21,23)
• InChIKey: CLPUQKUEIZAYTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]-N-(propan-2-yl)propanamide
• IUPAC Traditional name: 3-[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamido]-N-isopropylpropanamide

Database IDs

• PubChem SID: 164277628
• PubChem CID: 29148067

CALCULATED PROPERTIES

• Acid pKa: 14.507701
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.56760895
• LogD (pH = 7.4): -0.56710196
• Log P: -0.56709546
• Molar Refractivity: 100.1963 cm^3
• Polarizability: 37.26931 Å^3
• Polar Surface Area: 109.33 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds