N-[3-(furan-2-yl)propyl]-2,6-dimethylquinoline-3-carboxamide

• ChemBase ID: 541902
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: c1(c(nc2c(c1)cc(cc2)C)C)C(=O)NCCCc1occc1
• Canonical SMILES: Cc1ccc2c(c1)cc(c(n2)C)C(=O)NCCCc1ccco1
• InChI: InChI=1S/C19H20N2O2/c1-13-7-8-18-15(11-13)12-17(14(2)21-18)19(22)20-9-3-5-16-6-4-10-23-16/h4,6-8,10-12H,3,5,9H2,1-2H3,(H,20,22)
• InChIKey: GBBMVJAKQWGNLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)propyl]-2,6-dimethylquinoline-3-carboxamide
• IUPAC Traditional name: N-[3-(furan-2-yl)propyl]-2,6-dimethylquinoline-3-carboxamide
• Synonyms: N-[3-(2-furyl)propyl]-2,6-dimethylquinoline-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.679351
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1963255
• LogD (pH = 7.4): 3.211849
• Log P: 3.2120507
• Molar Refractivity: 90.1006 cm^3
• Polarizability: 35.296707 Å^3
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.8
• LOG S: -4.7
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 5