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

• ChemBase ID: 221598
• Molecular Formular: C19H19N3O5
• Molecular Mass: 369.37126
• Monoisotopic Mass: 369.13247072
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)Nc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)NC(=O)Cn1cnc2c(c1=O)cc(c(c2)OC)OC
• InChI: InChI=1S/C19H19N3O5/c1-25-13-6-4-5-12(7-13)21-18(23)10-22-11-20-15-9-17(27-3)16(26-2)8-14(15)19(22)24/h4-9,11H,10H2,1-3H3,(H,21,23)
• InChIKey: MKTJZEOFAYLHJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277508
• PubChem CID: 9403423

CALCULATED PROPERTIES

• Acid pKa: 12.183935
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.3871746
• LogD (pH = 7.4): 1.3876756
• Log P: 1.3876892
• Molar Refractivity: 101.5476 cm^3
• Polarizability: 37.06565 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