4-[(7-methoxyquinolin-4-yl)amino]benzamide

• ChemBase ID: 225354
• Molecular Formular: C17H15N3O2
• Molecular Mass: 293.3199
• Monoisotopic Mass: 293.11642674
• SMILES: c12c(Nc3ccc(C(=O)N)cc3)ccnc1cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)nccc2Nc1ccc(cc1)C(=O)N
• InChI: InChI=1S/C17H15N3O2/c1-22-13-6-7-14-15(8-9-19-16(14)10-13)20-12-4-2-11(3-5-12)17(18)21/h2-10H,1H3,(H2,18,21)(H,19,20)
• InChIKey: LTQCRZISKPECJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(7-methoxyquinolin-4-yl)amino]benzamide
• IUPAC Traditional name: 4-[(7-methoxyquinolin-4-yl)amino]benzamide

Database IDs

• PubChem SID: 164281264
• PubChem CID: 50877917

CALCULATED PROPERTIES

• Acid pKa: 15.09159
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.97874933
• LogD (pH = 7.4): 1.8401009
• Log P: 2.2637954
• Molar Refractivity: 84.0071 cm^3
• Polarizability: 33.02138 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds