2-(2,6-dimethylquinoline-4-carbonyl)-1,2-oxazolidin-4-ol

• ChemBase ID: 453598
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: N1(C(=O)c2c3c(nc(c2)C)ccc(c3)C)OCC(C1)O
• Canonical SMILES: Cc1cc(C(=O)N2CC(CO2)O)c2c(n1)ccc(c2)C
• InChI: InChI=1S/C15H16N2O3/c1-9-3-4-14-12(5-9)13(6-10(2)16-14)15(19)17-7-11(18)8-20-17/h3-6,11,18H,7-8H2,1-2H3
• InChIKey: IPKLTSZVRCTMJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylquinoline-4-carbonyl)-1,2-oxazolidin-4-ol
• IUPAC Traditional name: 2-(2,6-dimethylquinoline-4-carbonyl)-1,2-oxazolidin-4-ol
• Synonyms: 2-[(2,6-dimethyl-4-quinolinyl)carbonyl]-4-isoxazolidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.925845
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4209243
• LogD (pH = 7.4): 1.4229021
• Log P: 1.4229275
• Molar Refractivity: 73.8275 cm^3
• Polarizability: 29.409498 Å^3
• Polar Surface Area: 62.66 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.66
• LOG S: -1.75
• Polar Surface Area: 62.66 Å^2
• Rotatable Bonds: 1