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

• ChemBase ID: 223419
• Molecular Formular: C22H17N3O3
• Molecular Mass: 371.38868
• Monoisotopic Mass: 371.12699142
• SMILES: n1(c(=O)c2c(nc1)cccc2)c1c(C(=O)Nc2cc(OC)ccc2)cccc1
• Canonical SMILES: COc1cccc(c1)NC(=O)c1ccccc1n1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C22H17N3O3/c1-28-16-8-6-7-15(13-16)24-21(26)18-10-3-5-12-20(18)25-14-23-19-11-4-2-9-17(19)22(25)27/h2-14H,1H3,(H,24,26)
• InChIKey: CVEZFYHXJZVEKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279329
• PubChem CID: 49652211

CALCULATED PROPERTIES

• Acid pKa: 11.272677
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.540589
• LogD (pH = 7.4): 3.5405345
• Log P: 3.5405898
• Molar Refractivity: 109.5704 cm^3
• Polarizability: 39.87708 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