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

• ChemBase ID: 675818
• Molecular Formular: C19H18ClN5O
• Molecular Mass: 367.83212
• Monoisotopic Mass: 367.1199879
• SMILES: c12nc(cn1cccn2)C(NCc1nc2c(c(c1)O)cccc2Cl)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)NCc1cc(O)c2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C19H18ClN5O/c1-2-15(16-11-25-8-4-7-21-19(25)24-16)22-10-12-9-17(26)13-5-3-6-14(20)18(13)23-12/h3-9,11,15,22H,2,10H2,1H3,(H,23,26)
• InChIKey: GBSWMSMFZBOQIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-{[(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)amino]methyl}quinolin-4-ol
• IUPAC Traditional name: 8-chloro-2-{[(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)amino]methyl}quinolin-4-ol
• Synonyms: 8-chloro-2-{[(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)amino]methyl}quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.909862
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.4777968
• LogD (pH = 7.4): 2.6968868
• Log P: 2.8024812
• Molar Refractivity: 101.3307 cm^3
• Polarizability: 39.99152 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: 3.06
• LOG S: -4.6
• Polar Surface Area: 75.34 Å^2
• Rotatable Bonds: 5