4-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]benzamide

• ChemBase ID: 222308
• Molecular Formular: C17H14N4O3
• Molecular Mass: 322.31806
• Monoisotopic Mass: 322.10659033
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)Nc1ccc(C(=O)N)cc1
• Canonical SMILES: O=C(Cn1cnc2c(c1=O)cccc2)Nc1ccc(cc1)C(=O)N
• InChI: InChI=1S/C17H14N4O3/c18-16(23)11-5-7-12(8-6-11)20-15(22)9-21-10-19-14-4-2-1-3-13(14)17(21)24/h1-8,10H,9H2,(H2,18,23)(H,20,22)
• InChIKey: DLZIGUZEIPEOPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]benzamide
• IUPAC Traditional name: 4-[2-(4-oxoquinazolin-3-yl)acetamido]benzamide

Database IDs

• PubChem SID: 164278218
• PubChem CID: 852107

CALCULATED PROPERTIES

• Acid pKa: 12.161487
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7102031
• LogD (pH = 7.4): 0.7113216
• Log P: 0.71134335
• Molar Refractivity: 91.2364 cm^3
• Polarizability: 32.325577 Å^3
• Polar Surface Area: 104.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds