N-[2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)ethyl]-2-phenylacetamide

• ChemBase ID: 228101
• Molecular Formular: C21H23N3O4
• Molecular Mass: 381.42502
• Monoisotopic Mass: 381.16885623
• SMILES: c1(=O)c2c(nc(n1CCNC(=O)Cc1ccccc1)C)cc(c(c2)OC)OC
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CCNC(=O)Cc1ccccc1)C
• InChI: InChI=1S/C21H23N3O4/c1-14-23-17-13-19(28-3)18(27-2)12-16(17)21(26)24(14)10-9-22-20(25)11-15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H,22,25)
• InChIKey: IRBFDTWMHZJKLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)ethyl]-2-phenylacetamide
• IUPAC Traditional name: N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]-2-phenylacetamide

Database IDs

• PubChem SID: 164284011
• PubChem CID: 71755218

CALCULATED PROPERTIES

• Acid pKa: 14.917371
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5365611
• LogD (pH = 7.4): 1.5379587
• Log P: 1.5379766
• Molar Refractivity: 107.3285 cm^3
• Polarizability: 40.041233 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