8-fluoro-2-({[2-(morpholin-4-yl)butyl]amino}methyl)quinolin-4-ol

• ChemBase ID: 441692
• Molecular Formular: C18H24FN3O2
• Molecular Mass: 333.4004632
• Monoisotopic Mass: 333.18525524
• SMILES: c12c(c(cc(n1)CNCC(N1CCOCC1)CC)O)cccc2F
• Canonical SMILES: CCC(N1CCOCC1)CNCc1cc(O)c2c(n1)c(F)ccc2
• InChI: InChI=1S/C18H24FN3O2/c1-2-14(22-6-8-24-9-7-22)12-20-11-13-10-17(23)15-4-3-5-16(19)18(15)21-13/h3-5,10,14,20H,2,6-9,11-12H2,1H3,(H,21,23)
• InChIKey: PADMQMOPSQXBMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-2-({[2-(morpholin-4-yl)butyl]amino}methyl)quinolin-4-ol
• IUPAC Traditional name: 8-fluoro-2-({[2-(morpholin-4-yl)butyl]amino}methyl)quinolin-4-ol
• Synonyms: 8-fluoro-2-{[(2-morpholin-4-ylbutyl)amino]methyl}quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.10408
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.25821203
• LogD (pH = 7.4): 1.5445
• Log P: 2.3490994
• Molar Refractivity: 90.9388 cm^3
• Polarizability: 36.78617 Å^3
• Polar Surface Area: 57.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.23
• LOG S: -2.53
• Polar Surface Area: 57.62 Å^2
• Rotatable Bonds: 6