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

• ChemBase ID: 223601
• Molecular Formular: C22H17N3O3
• Molecular Mass: 371.38868
• Monoisotopic Mass: 371.12699142
• SMILES: n1(c(=O)c2c(nc1)cccc2)c1c(C(=O)Nc2ccc(cc2)OC)cccc1
• Canonical SMILES: COc1ccc(cc1)NC(=O)c1ccccc1n1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C22H17N3O3/c1-28-16-12-10-15(11-13-16)24-21(26)18-7-3-5-9-20(18)25-14-23-19-8-4-2-6-17(19)22(25)27/h2-14H,1H3,(H,24,26)
• InChIKey: KVJVFZVHNRCYGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279511
• PubChem CID: 49652352

CALCULATED PROPERTIES

• Acid pKa: 11.496019
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5405893
• LogD (pH = 7.4): 3.5405567
• Log P: 3.5405898
• Molar Refractivity: 109.5704 cm^3
• Polarizability: 39.876286 Å^3
• Polar Surface Area: 71.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds