8-chloro-2-(1,2-oxazolidine-2-carbonyl)quinoline

• ChemBase ID: 359487
• Molecular Formular: C13H11ClN2O2
• Molecular Mass: 262.69164
• Monoisotopic Mass: 262.05090528
• SMILES: n1c(C(=O)N2OCCC2)ccc2c1c(Cl)ccc2
• Canonical SMILES: O=C(c1ccc2c(n1)c(Cl)ccc2)N1CCCO1
• InChI: InChI=1S/C13H11ClN2O2/c14-10-4-1-3-9-5-6-11(15-12(9)10)13(17)16-7-2-8-18-16/h1,3-6H,2,7-8H2
• InChIKey: SZYRBBJKTROAGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-(1,2-oxazolidine-2-carbonyl)quinoline
• IUPAC Traditional name: 8-chloro-2-(1,2-oxazolidine-2-carbonyl)quinoline
• Synonyms: 8-chloro-2-(2-isoxazolidinylcarbonyl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4583256
• LogD (pH = 7.4): 2.4583256
• Log P: 2.4583256
• Molar Refractivity: 67.5305 cm^3
• Polarizability: 27.161325 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.39
• LOG S: -2.59
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 1