N-[3-(cyclopentyloxy)propyl]-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide

• ChemBase ID: 587552
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: c1(c(=O)c2c(n(c1)C)cccc2)C(=O)NCCCOC1CCCC1
• Canonical SMILES: O=C(c1cn(C)c2c(c1=O)cccc2)NCCCOC1CCCC1
• InChI: InChI=1S/C19H24N2O3/c1-21-13-16(18(22)15-9-4-5-10-17(15)21)19(23)20-11-6-12-24-14-7-2-3-8-14/h4-5,9-10,13-14H,2-3,6-8,11-12H2,1H3,(H,20,23)
• InChIKey: TUGKQHJLQQLHJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclopentyloxy)propyl]-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
• IUPAC Traditional name: N-[3-(cyclopentyloxy)propyl]-1-methyl-4-oxoquinoline-3-carboxamide
• Synonyms: N-[3-(cyclopentyloxy)propyl]-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.280804
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1575208
• LogD (pH = 7.4): 2.1575248
• Log P: 2.157525
• Molar Refractivity: 94.3688 cm^3
• Polarizability: 35.65823 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.6
• LOG S: -2.96
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 6