6-methoxy-2-methylquinoline-3-carboxamide

• ChemBase ID: 193775
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: c1(c(nc2c(c1)cc(cc2)OC)C)C(=O)N
• Canonical SMILES: COc1ccc2c(c1)cc(c(n2)C)C(=O)N
• InChI: InChI=1S/C12H12N2O2/c1-7-10(12(13)15)6-8-5-9(16-2)3-4-11(8)14-7/h3-6H,1-2H3,(H2,13,15)
• InChIKey: GKNDSJXHACKGDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-methylquinoline-3-carboxamide
• IUPAC Traditional name: 6-methoxy-2-methylquinoline-3-carboxamide

Database IDs

• PubChem SID: 164249685
• PubChem CID: 612228

CALCULATED PROPERTIES

• Acid pKa: 14.211806
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.94089115
• LogD (pH = 7.4): 0.955056
• Log P: 0.95523965
• Molar Refractivity: 60.1124 cm^3
• Polarizability: 24.055382 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds