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

• ChemBase ID: 194073
• Molecular Formular: C19H26ClN3O5
• Molecular Mass: 411.87984
• Monoisotopic Mass: 411.15609863
• SMILES: c1(c(c2c([nH]c1=O)cc(c(c2)OC)OC)O)C(=O)NCC1N(CCC1)CC.Cl
• Canonical SMILES: CCN1CCCC1CNC(=O)c1c(=O)[nH]c2c(c1O)cc(c(c2)OC)OC.Cl
• InChI: InChI=1S/C19H25N3O5.ClH/c1-4-22-7-5-6-11(22)10-20-18(24)16-17(23)12-8-14(26-2)15(27-3)9-13(12)21-19(16)25;/h8-9,11H,4-7,10H2,1-3H3,(H,20,24)(H2,21,23,25);1H
• InChIKey: HVZFRSUHXSDLFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249983
• PubChem CID: 54736682

CALCULATED PROPERTIES

• Acid pKa: 6.352293
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -2.3613644
• LogD (pH = 7.4): -1.5718796
• Log P: -1.5845138
• Molar Refractivity: 102.87 cm^3
• Polarizability: 38.58235 Å^3
• Polar Surface Area: 100.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds