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

• ChemBase ID: 191168
• Molecular Formular: C18H16N2O3
• Molecular Mass: 308.33124
• Monoisotopic Mass: 308.11609238
• SMILES: c1(NC(=O)c2ccc(cc2)OC)c2c(cc(c1)OC)cccn2
• Canonical SMILES: COc1ccc(cc1)C(=O)Nc1cc(OC)cc2c1nccc2
• InChI: InChI=1S/C18H16N2O3/c1-22-14-7-5-12(6-8-14)18(21)20-16-11-15(23-2)10-13-4-3-9-19-17(13)16/h3-11H,1-2H3,(H,20,21)
• InChIKey: GQMUUCFGHDSOLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(6-methoxyquinolin-8-yl)benzamide
• IUPAC Traditional name: 4-methoxy-N-(6-methoxyquinolin-8-yl)benzamide

Database IDs

• PubChem SID: 164247078
• PubChem CID: 877405

CALCULATED PROPERTIES

• Acid pKa: 9.896848
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9027474
• LogD (pH = 7.4): 2.906067
• Log P: 2.9074428
• Molar Refractivity: 88.4392 cm^3
• Polarizability: 34.59167 Å^3
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds