N-(6-methoxyquinolin-8-yl)benzamide

• ChemBase ID: 190917
• Molecular Formular: C17H14N2O2
• Molecular Mass: 278.30526
• Monoisotopic Mass: 278.1055277
• SMILES: c1(NC(=O)c2ccccc2)c2c(cc(c1)OC)cccn2
• Canonical SMILES: COc1cc(NC(=O)c2ccccc2)c2c(c1)cccn2
• InChI: InChI=1S/C17H14N2O2/c1-21-14-10-13-8-5-9-18-16(13)15(11-14)19-17(20)12-6-3-2-4-7-12/h2-11H,1H3,(H,19,20)
• InChIKey: FNEQKVVRNZUWQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxyquinolin-8-yl)benzamide
• IUPAC Traditional name: N-(6-methoxyquinolin-8-yl)benzamide

Database IDs

• PubChem SID: 164246827
• PubChem CID: 684962

CALCULATED PROPERTIES

• Acid pKa: 9.718391
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0604079
• LogD (pH = 7.4): 3.0630708
• Log P: 3.065114
• Molar Refractivity: 81.976 cm^3
• Polarizability: 32.095264 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds