2-({[3-(2-ethyl-1H-imidazol-1-yl)propyl]amino}methyl)-6-methylquinolin-4-ol

• ChemBase ID: 552926
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: c12c(nc(cc1O)CNCCCn1c(ncc1)CC)ccc(c2)C
• Canonical SMILES: CCc1nccn1CCCNCc1cc(O)c2c(n1)ccc(c2)C
• InChI: InChI=1S/C19H24N4O/c1-3-19-21-8-10-23(19)9-4-7-20-13-15-12-18(24)16-11-14(2)5-6-17(16)22-15/h5-6,8,10-12,20H,3-4,7,9,13H2,1-2H3,(H,22,24)
• InChIKey: BCLOIDDJGHTKOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({[3-(2-ethyl-1H-imidazol-1-yl)propyl]amino}methyl)-6-methylquinolin-4-ol
• IUPAC Traditional name: 2-({[3-(2-ethylimidazol-1-yl)propyl]amino}methyl)-6-methylquinolin-4-ol
• Synonyms: 2-({[3-(2-ethyl-1H-imidazol-1-yl)propyl]amino}methyl)-6-methylquinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.374096
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.91460663
• LogD (pH = 7.4): 1.5818887
• Log P: 2.7710645
• Molar Refractivity: 95.6007 cm^3
• Polarizability: 38.16152 Å^3
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.92
• LOG S: -3.05
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 7