4-hydroxy-6,7-dimethoxy-N-methyl-2-oxo-1,2-dihydroquinoline-3-carboxamide

• ChemBase ID: 193946
• Molecular Formular: C13H14N2O5
• Molecular Mass: 278.26066
• Monoisotopic Mass: 278.09027156
• SMILES: c1(c(c2c([nH]c1=O)cc(c(c2)OC)OC)O)C(=O)NC
• Canonical SMILES: CNC(=O)c1c(=O)[nH]c2c(c1O)cc(c(c2)OC)OC
• InChI: InChI=1S/C13H14N2O5/c1-14-12(17)10-11(16)6-4-8(19-2)9(20-3)5-7(6)15-13(10)18/h4-5H,1-3H3,(H,14,17)(H2,15,16,18)
• InChIKey: VPJMEJNEXQUCDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-6,7-dimethoxy-N-methyl-2-oxo-1,2-dihydroquinoline-3-carboxamide
• IUPAC Traditional name: 4-hydroxy-6,7-dimethoxy-N-methyl-2-oxo-1H-quinoline-3-carboxamide

Database IDs

• PubChem SID: 164249856
• PubChem CID: 54682405

CALCULATED PROPERTIES

• Acid pKa: 6.059309
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.5733992
• LogD (pH = 7.4): -1.8139766
• Log P: -0.46777055
• Molar Refractivity: 72.8911 cm^3
• Polarizability: 26.787205 Å^3
• Polar Surface Area: 96.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds