6-methoxyquinoline-3-carboxamide

• ChemBase ID: 807608
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: c1cc2c(cc1OC)cc(cn2)C(=O)N
• Canonical SMILES: COc1ccc2c(c1)cc(cn2)C(=O)N
• InChI: InChI=1S/C11H10N2O2/c1-15-9-2-3-10-7(5-9)4-8(6-13-10)11(12)14/h2-6H,1H3,(H2,12,14)
• InChIKey: NLVPUORRLFNMCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinoline-3-carboxamide
• IUPAC Traditional name: 6-methoxyquinoline-3-carboxamide
• Synonyms: 6-METHOXYQUINOLINE-3-CARBOXAMIDE

Database IDs

• CAS Number: 71083-30-2

CALCULATED PROPERTIES

• Acid pKa: 13.862306
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8219293
• LogD (pH = 7.4): 0.82384515
• Log P: 0.8238695
• Molar Refractivity: 55.5209 cm^3
• Polarizability: 22.290995 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%