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

• ChemBase ID: 221351
• Molecular Formular: C21H23N3O4
• Molecular Mass: 381.42502
• Monoisotopic Mass: 381.16885623
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)NCCCc1ccccc1
• Canonical SMILES: COc1cc2c(cc1OC)ncn(c2=O)CC(=O)NCCCc1ccccc1
• InChI: InChI=1S/C21H23N3O4/c1-27-18-11-16-17(12-19(18)28-2)23-14-24(21(16)26)13-20(25)22-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-12,14H,6,9-10,13H2,1-2H3,(H,22,25)
• InChIKey: HEDIQHBQLJQXRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277261
• PubChem CID: 29147139

CALCULATED PROPERTIES

• Acid pKa: 14.774667
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.9849817
• LogD (pH = 7.4): 1.9854885
• Log P: 1.9854951
• Molar Refractivity: 107.4946 cm^3
• Polarizability: 40.04264 Å^3
• Polar Surface Area: 80.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds