2,6-dimethyl-N-[1-(pyrazin-2-yl)propan-2-yl]quinoline-3-carboxamide

• ChemBase ID: 865383
• Molecular Formular: C19H20N4O
• Molecular Mass: 320.3883
• Monoisotopic Mass: 320.16371128
• SMILES: c1(C(=O)NC(Cc2nccnc2)C)c(nc2c(c1)cc(cc2)C)C
• Canonical SMILES: CC(NC(=O)c1cc2cc(C)ccc2nc1C)Cc1cnccn1
• InChI: InChI=1S/C19H20N4O/c1-12-4-5-18-15(8-12)10-17(14(3)23-18)19(24)22-13(2)9-16-11-20-6-7-21-16/h4-8,10-11,13H,9H2,1-3H3,(H,22,24)
• InChIKey: WXFMTLWNODFRLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-N-[1-(pyrazin-2-yl)propan-2-yl]quinoline-3-carboxamide
• IUPAC Traditional name: 2,6-dimethyl-N-[1-(pyrazin-2-yl)propan-2-yl]quinoline-3-carboxamide
• Synonyms: 2,6-dimethyl-N-(1-methyl-2-pyrazin-2-ylethyl)quinoline-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.775395
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8585087
• LogD (pH = 7.4): 1.8739951
• Log P: 1.8741963
• Molar Refractivity: 92.4819 cm^3
• Polarizability: 36.641422 Å^3
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.1
• LOG S: -3.33
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 4