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

• ChemBase ID: 193926
• Molecular Formular: C19H26N2O5
• Molecular Mass: 362.42014
• Monoisotopic Mass: 362.18417194
• SMILES: c1(c(c2c([nH]c1=O)cc(c(c2)OC)OC)O)C(=O)NCCCCCCC
• Canonical SMILES: CCCCCCCNC(=O)c1c(=O)[nH]c2c(c1O)cc(c(c2)OC)OC
• InChI: InChI=1S/C19H26N2O5/c1-4-5-6-7-8-9-20-18(23)16-17(22)12-10-14(25-2)15(26-3)11-13(12)21-19(16)24/h10-11H,4-9H2,1-3H3,(H,20,23)(H2,21,22,24)
• InChIKey: HSKXWFTZDRCVHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249836
• PubChem CID: 54678153

CALCULATED PROPERTIES

• Acid pKa: 6.2505927
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 2.1189513
• LogD (pH = 7.4): 1.0196549
• Log P: 2.1898344
• Molar Refractivity: 100.5677 cm^3
• Polarizability: 37.77117 Å^3
• Polar Surface Area: 96.89 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds