8-fluoro-2-(morpholine-4-carbonyl)quinoline

• ChemBase ID: 619026
• Molecular Formular: C14H13FN2O2
• Molecular Mass: 260.2636232
• Monoisotopic Mass: 260.09610589
• SMILES: n1c(C(=O)N2CCOCC2)ccc2c1c(F)ccc2
• Canonical SMILES: O=C(c1ccc2c(n1)c(F)ccc2)N1CCOCC1
• InChI: InChI=1S/C14H13FN2O2/c15-11-3-1-2-10-4-5-12(16-13(10)11)14(18)17-6-8-19-9-7-17/h1-5H,6-9H2
• InChIKey: NINBDWXIMKGMTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-2-(morpholine-4-carbonyl)quinoline
• IUPAC Traditional name: 8-fluoro-2-(morpholine-4-carbonyl)quinoline
• Synonyms: 8-fluoro-2-(morpholin-4-ylcarbonyl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7389446
• LogD (pH = 7.4): 1.7389446
• Log P: 1.7389446
• Molar Refractivity: 67.77 cm^3
• Polarizability: 26.779276 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: 0.28
• LOG S: -2.65
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 1