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

• ChemBase ID: 194591
• Molecular Formular: C18H24N2O5
• Molecular Mass: 348.39356
• Monoisotopic Mass: 348.16852188
• SMILES: c1(c(c2c([nH]c1=O)cc(c(c2)OC)OC)O)C(=O)NCCCCCC
• Canonical SMILES: CCCCCCNC(=O)c1c(=O)[nH]c2c(c1O)cc(c(c2)OC)OC
• InChI: InChI=1S/C18H24N2O5/c1-4-5-6-7-8-19-17(22)15-16(21)11-9-13(24-2)14(25-3)10-12(11)20-18(15)23/h9-10H,4-8H2,1-3H3,(H,19,22)(H2,20,21,23)
• InChIKey: FUKVYVJJWAUVFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250501
• PubChem CID: 54680117

CALCULATED PROPERTIES

• Acid pKa: 6.2505927
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 1.6743827
• LogD (pH = 7.4): 0.5750862
• Log P: 1.7452658
• Molar Refractivity: 95.9667 cm^3
• Polarizability: 35.93699 Å^3
• Polar Surface Area: 96.89 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds