N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)quinoxaline-6-carboxamide

• ChemBase ID: 387270
• Molecular Formular: C21H17N5O2
• Molecular Mass: 371.39198
• Monoisotopic Mass: 371.13822481
• SMILES: c1(c(CNC(=O)c2cc3nccnc3cc2)cccn1)Oc1cnc(cc1)C
• Canonical SMILES: Cc1ccc(cn1)Oc1ncccc1CNC(=O)c1ccc2c(c1)nccn2
• InChI: InChI=1S/C21H17N5O2/c1-14-4-6-17(13-25-14)28-21-16(3-2-8-24-21)12-26-20(27)15-5-7-18-19(11-15)23-10-9-22-18/h2-11,13H,12H2,1H3,(H,26,27)
• InChIKey: ZWWMHZDHZLWOMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)quinoxaline-6-carboxamide
• IUPAC Traditional name: N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)quinoxaline-6-carboxamide
• Synonyms: N-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)quinoxaline-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.636145
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7516352
• LogD (pH = 7.4): 1.8865876
• Log P: 1.8886379
• Molar Refractivity: 102.8701 cm^3
• Polarizability: 40.620586 Å^3
• Polar Surface Area: 89.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.64
• LOG S: -3.31
• Polar Surface Area: 89.89 Å^2
• Rotatable Bonds: 5