6-fluoro-2-{9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl}quinolin-4-ol

• ChemBase ID: 398532
• Molecular Formular: C19H23FN2O2
• Molecular Mass: 330.3965232
• Monoisotopic Mass: 330.17435621
• SMILES: c12c(nc(cc1O)CN1CC3(CCC1)CCOCC3)ccc(c2)F
• Canonical SMILES: Fc1ccc2c(c1)c(O)cc(n2)CN1CCCC2(C1)CCOCC2
• InChI: InChI=1S/C19H23FN2O2/c20-14-2-3-17-16(10-14)18(23)11-15(21-17)12-22-7-1-4-19(13-22)5-8-24-9-6-19/h2-3,10-11H,1,4-9,12-13H2,(H,21,23)
• InChIKey: YUHQKQCWXMLVEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2-{9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl}quinolin-4-ol
• IUPAC Traditional name: 6-fluoro-2-{9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl}quinolin-4-ol
• Synonyms: 6-fluoro-2-(9-oxa-2-azaspiro[5.5]undec-2-ylmethyl)quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.005714
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5406634
• LogD (pH = 7.4): 2.238915
• Log P: 2.7637293
• Molar Refractivity: 90.7581 cm^3
• Polarizability: 36.365913 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.98
• LOG S: -3.15
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 2