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CAS 1133115-87-3

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1,1-Dimethylethyl 4-(5-nitro-6-quinolinyl)-1-piperazinecarboxylate

Description:
1,1-Dimethylethyl 4-(5-nitro-6-quinolinyl)-1-piperazinecarboxylate, identified by its CAS number 1133115-87-3, is a chemical compound characterized by its complex structure, which includes a piperazine ring and a quinoline moiety. This compound typically exhibits properties associated with both piperazine derivatives and quinoline-based structures, such as potential biological activity, including antimicrobial or antitumor effects. The presence of the nitro group suggests it may participate in redox reactions, influencing its reactivity and stability. Additionally, the tert-butyl group (1,1-dimethylethyl) contributes to its lipophilicity, potentially affecting its solubility and permeability in biological systems. The compound's synthesis and characterization would involve standard organic chemistry techniques, including NMR and mass spectrometry, to confirm its structure and purity. Overall, this compound may have applications in medicinal chemistry, particularly in the development of new therapeutic agents.
Formula:C18H22N4O4
InChI:InChI=1S/C18H22N4O4/c1-18(2,3)26-17(23)21-11-9-20(10-12-21)15-7-6-14-13(5-4-8-19-14)16(15)22(24)25/h4-8H,9-12H2,1-3H3
InChI key:InChIKey=DOLJWBADJZUQHH-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(C=CC2=C1C=CC=N2)N3CCN(C(OC(C)(C)C)=O)CC3
Synonyms:
  • 1-Piperazinecarboxylic acid, 4-(5-nitro-6-quinolinyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-(5-nitro-6-quinolinyl)-1-piperazinecarboxylate
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