8-chloro-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]quinoline

• ChemBase ID: 705419
• Molecular Formular: C15H12ClN3O2
• Molecular Mass: 301.72768
• Monoisotopic Mass: 301.06180432
• SMILES: n1c(onc1C1COCC1)c1nc2c(Cl)cccc2cc1
• Canonical SMILES: Clc1cccc2c1nc(cc2)c1onc(n1)C1COCC1
• InChI: InChI=1S/C15H12ClN3O2/c16-11-3-1-2-9-4-5-12(17-13(9)11)15-18-14(19-21-15)10-6-7-20-8-10/h1-5,10H,6-8H2
• InChIKey: ZCEFIUWLNGMMMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]quinoline
• IUPAC Traditional name: 8-chloro-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]quinoline
• Synonyms: 8-chloro-2-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4924488
• LogD (pH = 7.4): 3.4924488
• Log P: 3.4924488
• Molar Refractivity: 88.7499 cm^3
• Polarizability: 31.484911 Å^3
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.26
• LOG S: -3.33
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 2