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Substance Name: 3-Quinolinecarboxylic acid, 1,4-dihydro-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-
RN: 116162-74-4
InChIKey: CTXPWRRGJDHGNC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-F-N3-O3

Molecular Weight

  • 347.3878
 
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Names and Synonyms

Synonyms

  • 1,4-Dihydro-1-(tert-butyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
  • BRN 3626399

Systematic Names

  • 3-Quinolinecarboxylic acid, 1,4-dihydro-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-
  • 3-Quinolinecarboxylic acid, 1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-

Registry Numbers

CAS Registry Number

  • 116162-74-4

System Generated Number

  • 0116162744

Structure Descriptors

InChI

1S/C18H22FN3O3/c1-18(2,3)22-10-12(17(24)25)16(23)11-8-13(19)15(9-14(11)22)21-6-4-20-5-7-21/h8-10,20H,4-7H2,1-3H3,(H,24,25)

InChIKey

CTXPWRRGJDHGNC-UHFFFAOYSA-N

Smiles

CC(C)(C)n1cc(c(=O)c2c1cc(c(c2)F)N3CCNCC3)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 1344, 1990.