4-hydroxy-6,7-dimethoxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,2-dihydroquinoline-3-carboxamide

• ChemBase ID: 194534
• Molecular Formular: C20H20N2O6
• Molecular Mass: 384.3826
• Monoisotopic Mass: 384.13213637
• SMILES: c1(c(c2c([nH]c1=O)cc(c(c2)OC)OC)O)C(=O)NCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNC(=O)c1c(=O)[nH]c2c(c1O)cc(c(c2)OC)OC
• InChI: InChI=1S/C20H20N2O6/c1-26-12-6-4-11(5-7-12)10-21-19(24)17-18(23)13-8-15(27-2)16(28-3)9-14(13)22-20(17)25/h4-9H,10H2,1-3H3,(H,21,24)(H2,22,23,25)
• InChIKey: CFALXAHOWCYFCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250444
• PubChem CID: 54682438

CALCULATED PROPERTIES

• Acid pKa: 6.050768
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 0.9915457
• LogD (pH = 7.4): -0.25507486
• Log P: 1.0990313
• Molar Refractivity: 103.9669 cm^3
• Polarizability: 38.848248 Å^3
• Polar Surface Area: 106.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds