5,8-dimethyl-2-({[1-(1-methyl-1H-pyrazol-4-yl)propyl]amino}methyl)quinolin-4-ol

• ChemBase ID: 569222
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: c1(cn(nc1)C)C(NCc1nc2c(c(c1)O)c(ccc2C)C)CC
• Canonical SMILES: CCC(c1cnn(c1)C)NCc1cc(O)c2c(n1)c(C)ccc2C
• InChI: InChI=1S/C19H24N4O/c1-5-16(14-9-21-23(4)11-14)20-10-15-8-17(24)18-12(2)6-7-13(3)19(18)22-15/h6-9,11,16,20H,5,10H2,1-4H3,(H,22,24)
• InChIKey: YHYGEMRQYWAGMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dimethyl-2-({[1-(1-methyl-1H-pyrazol-4-yl)propyl]amino}methyl)quinolin-4-ol
• IUPAC Traditional name: 5,8-dimethyl-2-({[1-(1-methylpyrazol-4-yl)propyl]amino}methyl)quinolin-4-ol
• Synonyms: 5,8-dimethyl-2-({[1-(1-methyl-1H-pyrazol-4-yl)propyl]amino}methyl)quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.367499
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6905798
• LogD (pH = 7.4): 3.2749202
• Log P: 3.5854292
• Molar Refractivity: 107.2272 cm^3
• Polarizability: 38.15214 Å^3
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.4
• LOG S: -3.46
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 5