N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide

• ChemBase ID: 196177
• Molecular Formular: C17H15N3O4
• Molecular Mass: 325.3187
• Monoisotopic Mass: 325.10625598
• SMILES: n1c(NC(=O)c2ccccc2)[nH]c2c(c1=O)cc(c(c2)OC)OC
• Canonical SMILES: COc1cc2[nH]c(NC(=O)c3ccccc3)nc(=O)c2cc1OC
• InChI: InChI=1S/C17H15N3O4/c1-23-13-8-11-12(9-14(13)24-2)18-17(20-16(11)22)19-15(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,18,19,20,21,22)
• InChIKey: STDAUJHFBQBVBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
• IUPAC Traditional name: N-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)benzamide

Database IDs

• PubChem SID: 164252087
• PubChem CID: 907288

CALCULATED PROPERTIES

• Acid pKa: 8.608371
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 2.4846244
• LogD (pH = 7.4): 2.4602032
• Log P: 2.484946
• Molar Refractivity: 88.796 cm^3
• Polarizability: 32.691944 Å^3
• Polar Surface Area: 89.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds