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

• ChemBase ID: 221372
• Molecular Formular: C19H19N3O5
• Molecular Mass: 369.37126
• Monoisotopic Mass: 369.13247072
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)Nc1c(OC)cccc1
• Canonical SMILES: COc1cc2c(cc1OC)ncn(c2=O)CC(=O)Nc1ccccc1OC
• InChI: InChI=1S/C19H19N3O5/c1-25-15-7-5-4-6-13(15)21-18(23)10-22-11-20-14-9-17(27-3)16(26-2)8-12(14)19(22)24/h4-9,11H,10H2,1-3H3,(H,21,23)
• InChIKey: FVHTUJSJEGNUTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277282
• PubChem CID: 29147193

CALCULATED PROPERTIES

• Acid pKa: 11.780145
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.3871745
• LogD (pH = 7.4): 1.3876653
• Log P: 1.3876892
• Molar Refractivity: 101.5476 cm^3
• Polarizability: 37.066895 Å^3
• Polar Surface Area: 89.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds