5-{1-azabicyclo[3.2.1]octan-5-yloxy}quinoline

• ChemBase ID: 438295
• Molecular Formular: C16H18N2O
• Molecular Mass: 254.32692
• Monoisotopic Mass: 254.14191321
• SMILES: C12(Oc3c4c(nccc4)ccc3)CN(CC1)CCC2
• Canonical SMILES: c1cc(OC23CCCN(C3)CC2)c2c(c1)nccc2
• InChI: InChI=1S/C16H18N2O/c1-5-14-13(4-2-9-17-14)15(6-1)19-16-7-3-10-18(12-16)11-8-16/h1-2,4-6,9H,3,7-8,10-12H2
• InChIKey: KKFFNPZHENZUTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1-azabicyclo[3.2.1]octan-5-yloxy}quinoline
• IUPAC Traditional name: 5-{1-azabicyclo[3.2.1]octan-5-yloxy}quinoline
• Synonyms: 5-(1-azabicyclo[3.2.1]oct-5-yloxy)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2476088
• LogD (pH = 7.4): -0.16755225
• Log P: 2.2696419
• Molar Refractivity: 74.4588 cm^3
• Polarizability: 30.630121 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.82
• LOG S: -2.46
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2