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

• ChemBase ID: 221447
• Molecular Formular: C20H21N3O4
• Molecular Mass: 367.39844
• Monoisotopic Mass: 367.15320617
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)NCCc1ccccc1
• Canonical SMILES: COc1cc2c(cc1OC)ncn(c2=O)CC(=O)NCCc1ccccc1
• InChI: InChI=1S/C20H21N3O4/c1-26-17-10-15-16(11-18(17)27-2)22-13-23(20(15)25)12-19(24)21-9-8-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,21,24)
• InChIKey: ZHNXYLDNTCDYQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277357
• PubChem CID: 29147373

CALCULATED PROPERTIES

• Acid pKa: 14.698093
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.540413
• LogD (pH = 7.4): 1.5409199
• Log P: 1.5409265
• Molar Refractivity: 102.8936 cm^3
• Polarizability: 38.20579 Å^3
• Polar Surface Area: 80.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds