2-(4-oxo-3,4-dihydroquinazolin-3-yl)-N-(2-phenylethyl)benzamide

• ChemBase ID: 223645
• Molecular Formular: C23H19N3O2
• Molecular Mass: 369.41586
• Monoisotopic Mass: 369.14772686
• SMILES: n1(c(=O)c2c(nc1)cccc2)c1c(C(=O)NCCc2ccccc2)cccc1
• Canonical SMILES: O=C(c1ccccc1n1cnc2c(c1=O)cccc2)NCCc1ccccc1
• InChI: InChI=1S/C23H19N3O2/c27-22(24-15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)26-16-25-20-12-6-4-10-18(20)23(26)28/h1-13,16H,14-15H2,(H,24,27)
• InChIKey: CQJXEMLWLBOOFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-oxo-3,4-dihydroquinazolin-3-yl)-N-(2-phenylethyl)benzamide
• IUPAC Traditional name: 2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide

Database IDs

• PubChem SID: 164279555
• PubChem CID: 15991812

CALCULATED PROPERTIES

• Acid pKa: 14.25507
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.693827
• LogD (pH = 7.4): 3.693827
• Log P: 3.693827
• Molar Refractivity: 110.9164 cm^3
• Polarizability: 40.86371 Å^3
• Polar Surface Area: 61.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds