8-fluoro-2-({4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}methyl)quinolin-4-ol

• ChemBase ID: 716861
• Molecular Formular: C19H21FN4O2
• Molecular Mass: 356.3940432
• Monoisotopic Mass: 356.16485415
• SMILES: n1c(noc1C)CC1CCN(Cc2nc3c(c(c2)O)cccc3F)CC1
• Canonical SMILES: Cc1onc(n1)CC1CCN(CC1)Cc1cc(O)c2c(n1)c(F)ccc2
• InChI: InChI=1S/C19H21FN4O2/c1-12-21-18(23-26-12)9-13-5-7-24(8-6-13)11-14-10-17(25)15-3-2-4-16(20)19(15)22-14/h2-4,10,13H,5-9,11H2,1H3,(H,22,25)
• InChIKey: CFSHMOQTVMPXBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-2-({4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}methyl)quinolin-4-ol
• IUPAC Traditional name: 8-fluoro-2-({4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}methyl)quinolin-4-ol
• Synonyms: 8-fluoro-2-({4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}methyl)quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.97333
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7027272
• LogD (pH = 7.4): 2.9296339
• Log P: 3.036021
• Molar Refractivity: 96.2496 cm^3
• Polarizability: 37.285942 Å^3
• Polar Surface Area: 75.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.4
• LOG S: -2.84
• Polar Surface Area: 75.28 Å^2
• Rotatable Bonds: 4