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

• ChemBase ID: 193910
• Molecular Formular: C19H18N2O6
• Molecular Mass: 370.35602
• Monoisotopic Mass: 370.11648631
• SMILES: c1(c(c2c([nH]c1=O)cc(c(c2)OC)OC)O)C(=O)Nc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)NC(=O)c1c(=O)[nH]c2c(c1O)cc(c(c2)OC)OC
• InChI: InChI=1S/C19H18N2O6/c1-25-11-6-4-5-10(7-11)20-18(23)16-17(22)12-8-14(26-2)15(27-3)9-13(12)21-19(16)24/h4-9H,1-3H3,(H,20,23)(H2,21,22,24)
• InChIKey: LPLDJBPMIVUJJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249820
• PubChem CID: 54682404

CALCULATED PROPERTIES

• Acid pKa: 5.7491436
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 1.1984044
• LogD (pH = 7.4): -0.24045736
• Log P: 1.3921267
• Molar Refractivity: 100.9127 cm^3
• Polarizability: 37.007465 Å^3
• Polar Surface Area: 106.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds