N,2,3,6-tetramethyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide

• ChemBase ID: 313947
• Molecular Formular: C20H24N4O
• Molecular Mass: 336.43076
• Monoisotopic Mass: 336.19501141
• SMILES: c1(c2c(nc(c1C)C)ccc(c2)C)C(=O)N(CCc1cn(nc1)C)C
• Canonical SMILES: Cc1ccc2c(c1)c(C(=O)N(CCc1cnn(c1)C)C)c(c(n2)C)C
• InChI: InChI=1S/C20H24N4O/c1-13-6-7-18-17(10-13)19(14(2)15(3)22-18)20(25)23(4)9-8-16-11-21-24(5)12-16/h6-7,10-12H,8-9H2,1-5H3
• InChIKey: WMCWGAWJNOJVSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,3,6-tetramethyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
• IUPAC Traditional name: N,2,3,6-tetramethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
• Synonyms: N,2,3,6-tetramethyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.015746
• LogD (pH = 7.4): 3.0279424
• Log P: 3.0281003
• Molar Refractivity: 111.796 cm^3
• Polarizability: 38.768696 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.05
• LOG S: -3.4
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 4