5,8-dimethoxy-N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]-4-methylquinolin-2-amine

• ChemBase ID: 740949
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(n(ncc1)C)C(Nc1nc2c(c(c1)C)c(ccc2OC)OC)COC
• Canonical SMILES: COCC(c1ccnn1C)Nc1cc(C)c2c(n1)c(OC)ccc2OC
• InChI: InChI=1S/C19H24N4O3/c1-12-10-17(21-13(11-24-3)14-8-9-20-23(14)2)22-19-16(26-5)7-6-15(25-4)18(12)19/h6-10,13H,11H2,1-5H3,(H,21,22)
• InChIKey: YSVKLCWEIQLSGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dimethoxy-N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]-4-methylquinolin-2-amine
• IUPAC Traditional name: 5,8-dimethoxy-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-methylquinolin-2-amine
• Synonyms: 5,8-dimethoxy-N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]-4-methylquinolin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.270971
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.1907668
• LogD (pH = 7.4): 2.476095
• Log P: 2.481341
• Molar Refractivity: 112.5614 cm^3
• Polarizability: 39.25382 Å^3
• Polar Surface Area: 70.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.83
• LOG S: -4.22
• Polar Surface Area: 70.43 Å^2
• Rotatable Bonds: 7