6-ethoxy-2-{[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl}quinoline

• ChemBase ID: 531292
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: c1(ncon1)C1CN(Cc2nc3c(cc(cc3)OCC)cc2)CCC1
• Canonical SMILES: CCOc1ccc2c(c1)ccc(n2)CN1CCCC(C1)c1nocn1
• InChI: InChI=1S/C19H22N4O2/c1-2-24-17-7-8-18-14(10-17)5-6-16(21-18)12-23-9-3-4-15(11-23)19-20-13-25-22-19/h5-8,10,13,15H,2-4,9,11-12H2,1H3
• InChIKey: NNTKDMLBVIQAJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxy-2-{[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl}quinoline
• IUPAC Traditional name: 6-ethoxy-2-{[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl}quinoline
• Synonyms: 6-ethoxy-2-{[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1883245
• LogD (pH = 7.4): 2.761451
• Log P: 3.0387657
• Molar Refractivity: 96.0943 cm^3
• Polarizability: 37.76521 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.13
• LOG S: -2.48
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5