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

• ChemBase ID: 193950
• Molecular Formular: C15H18N2O5
• Molecular Mass: 306.31382
• Monoisotopic Mass: 306.12157169
• SMILES: c1(c(c2c([nH]c1=O)cc(c(c2)OC)OC)O)C(=O)NCCC
• Canonical SMILES: CCCNC(=O)c1c(=O)[nH]c2c(c1O)cc(c(c2)OC)OC
• InChI: InChI=1S/C15H18N2O5/c1-4-5-16-14(19)12-13(18)8-6-10(21-2)11(22-3)7-9(8)17-15(12)20/h6-7H,4-5H2,1-3H3,(H,16,19)(H2,17,18,20)
• InChIKey: MGGFNEKUEPENEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249860
• PubChem CID: 54682406

CALCULATED PROPERTIES

• Acid pKa: 6.194684
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.33178565
• LogD (pH = 7.4): -0.8098231
• Log P: 0.4115598
• Molar Refractivity: 82.1637 cm^3
• Polarizability: 30.442055 Å^3
• Polar Surface Area: 96.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds