(1H-imidazol-2-ylmethyl)[(8-methoxyquinolin-5-yl)methyl]methylamine

• ChemBase ID: 501044
• Molecular Formular: C16H18N4O
• Molecular Mass: 282.34032
• Monoisotopic Mass: 282.14806122
• SMILES: c12c(c(CN(Cc3ncc[nH]3)C)ccc2OC)cccn1
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(Cc1ncc[nH]1)C
• InChI: InChI=1S/C16H18N4O/c1-20(11-15-17-8-9-18-15)10-12-5-6-14(21-2)16-13(12)4-3-7-19-16/h3-9H,10-11H2,1-2H3,(H,17,18)
• InChIKey: ABENOSRQQGEPSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1H-imidazol-2-ylmethyl)[(8-methoxyquinolin-5-yl)methyl]methylamine
• IUPAC Traditional name: (1H-imidazol-2-ylmethyl)[(8-methoxyquinolin-5-yl)methyl]methylamine
• Synonyms: (1H-imidazol-2-ylmethyl)[(8-methoxyquinolin-5-yl)methyl]methylamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.618474
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.07262595
• LogD (pH = 7.4): 1.3966093
• Log P: 1.5937955
• Molar Refractivity: 81.8796 cm^3
• Polarizability: 32.945484 Å^3
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.75
• LOG S: -1.75
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 5