2-{2-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}acetamide

• ChemBase ID: 336492
• Molecular Formular: C19H20N6O2
• Molecular Mass: 364.4011
• Monoisotopic Mass: 364.16477391
• SMILES: n1(c(ncc1)C1CCN(C(=O)c2cc3nccnc3cc2)CC1)CC(=O)N
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCN(CC1)C(=O)c1ccc2c(c1)nccn2
• InChI: InChI=1S/C19H20N6O2/c20-17(26)12-25-10-7-23-18(25)13-3-8-24(9-4-13)19(27)14-1-2-15-16(11-14)22-6-5-21-15/h1-2,5-7,10-11,13H,3-4,8-9,12H2,(H2,20,26)
• InChIKey: HGQBLTVFFVFIBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}acetamide
• IUPAC Traditional name: 2-{2-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]imidazol-1-yl}acetamide
• Synonyms: 2-{2-[1-(6-quinoxalinylcarbonyl)-4-piperidinyl]-1H-imidazol-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.573299
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.8775273
• LogD (pH = 7.4): -0.2600355
• Log P: -0.23391557
• Molar Refractivity: 98.3174 cm^3
• Polarizability: 38.670586 Å^3
• Polar Surface Area: 107.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.6
• LOG S: -1.8
• Polar Surface Area: 107.0 Å^2
• Rotatable Bonds: 4