2-[8-chloro-2-(furan-2-yl)quinoline-4-carbonyl]-1,2-oxazolidin-4-ol

• ChemBase ID: 657143
• Molecular Formular: C17H13ClN2O4
• Molecular Mass: 344.74912
• Monoisotopic Mass: 344.05638459
• SMILES: N1(C(=O)c2c3c(nc(c2)c2occc2)c(Cl)ccc3)OCC(C1)O
• Canonical SMILES: OC1CON(C1)C(=O)c1cc(nc2c1cccc2Cl)c1ccco1
• InChI: InChI=1S/C17H13ClN2O4/c18-13-4-1-3-11-12(17(22)20-8-10(21)9-24-20)7-14(19-16(11)13)15-5-2-6-23-15/h1-7,10,21H,8-9H2
• InChIKey: APBMABOBWNPINB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[8-chloro-2-(furan-2-yl)quinoline-4-carbonyl]-1,2-oxazolidin-4-ol
• IUPAC Traditional name: 2-[8-chloro-2-(furan-2-yl)quinoline-4-carbonyl]-1,2-oxazolidin-4-ol
• Synonyms: 2-{[8-chloro-2-(2-furyl)-4-quinolinyl]carbonyl}-4-isoxazolidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.925845
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.475503
• LogD (pH = 7.4): 2.4755027
• Log P: 2.475503
• Molar Refractivity: 86.1547 cm^3
• Polarizability: 35.60659 Å^3
• Polar Surface Area: 75.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.12
• LOG S: -2.67
• Polar Surface Area: 75.8 Å^2
• Rotatable Bonds: 2