6-fluoro-2-{[(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)amino]methyl}quinolin-4-ol

• ChemBase ID: 749348
• Molecular Formular: C19H18FN5O
• Molecular Mass: 351.3775232
• Monoisotopic Mass: 351.14953844
• SMILES: c12nc(cn1cccn2)C(NCc1nc2c(c(c1)O)cc(cc2)F)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)NCc1cc(O)c2c(n1)ccc(c2)F
• InChI: InChI=1S/C19H18FN5O/c1-2-15(17-11-25-7-3-6-21-19(25)24-17)22-10-13-9-18(26)14-8-12(20)4-5-16(14)23-13/h3-9,11,15,22H,2,10H2,1H3,(H,23,26)
• InChIKey: RPTPWSAOUZBHDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2-{[(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)amino]methyl}quinolin-4-ol
• IUPAC Traditional name: 6-fluoro-2-{[(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)amino]methyl}quinolin-4-ol
• Synonyms: 6-fluoro-2-{[(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)amino]methyl}quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.949241
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.0029395
• LogD (pH = 7.4): 2.233015
• Log P: 2.3411386
• Molar Refractivity: 96.7423 cm^3
• Polarizability: 37.752403 Å^3
• Polar Surface Area: 75.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.8
• LOG S: -4.25
• Polar Surface Area: 75.34 Å^2
• Rotatable Bonds: 5