6,8-dimethyl-2-{[methyl({[2-(methylamino)pyrimidin-5-yl]methyl})amino]methyl}quinolin-4-ol

• ChemBase ID: 715572
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: c12c(nc(cc1O)CN(Cc1cnc(nc1)NC)C)c(cc(c2)C)C
• Canonical SMILES: CNc1ncc(cn1)CN(Cc1cc(O)c2c(n1)c(C)cc(c2)C)C
• InChI: InChI=1S/C19H23N5O/c1-12-5-13(2)18-16(6-12)17(25)7-15(23-18)11-24(4)10-14-8-21-19(20-3)22-9-14/h5-9H,10-11H2,1-4H3,(H,23,25)(H,20,21,22)
• InChIKey: IYNMGCAZKNTHFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dimethyl-2-{[methyl({[2-(methylamino)pyrimidin-5-yl]methyl})amino]methyl}quinolin-4-ol
• IUPAC Traditional name: 6,8-dimethyl-2-{[methyl({[2-(methylamino)pyrimidin-5-yl]methyl})amino]methyl}quinolin-4-ol
• Synonyms: 6,8-dimethyl-2-[(methyl{[2-(methylamino)pyrimidin-5-yl]methyl}amino)methyl]quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.536803
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.9929065
• LogD (pH = 7.4): 2.7978032
• Log P: 2.8295734
• Molar Refractivity: 101.4798 cm^3
• Polarizability: 38.92085 Å^3
• Polar Surface Area: 74.17 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: 3.0
• LOG S: -3.21
• Polar Surface Area: 74.17 Å^2
• Rotatable Bonds: 5