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

• ChemBase ID: 223787
• Molecular Formular: C21H15N3O3
• Molecular Mass: 357.3621
• Monoisotopic Mass: 357.11134136
• SMILES: n1(c(=O)c2c(nc1)cccc2)c1c(C(=O)Nc2ccc(cc2)O)cccc1
• Canonical SMILES: Oc1ccc(cc1)NC(=O)c1ccccc1n1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C21H15N3O3/c25-15-11-9-14(10-12-15)23-20(26)17-6-2-4-8-19(17)24-13-22-18-7-3-1-5-16(18)21(24)27/h1-13,25H,(H,23,26)
• InChIKey: VLADREQTZDUPDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279697
• PubChem CID: 49652490

CALCULATED PROPERTIES

• Acid pKa: 9.433157
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.3946455
• LogD (pH = 7.4): 3.3907156
• Log P: 3.3946958
• Molar Refractivity: 105.0881 cm^3
• Polarizability: 37.963917 Å^3
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds