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Substance Name: 3-Quinolinecarboxylic acid, 1,4-dihydro-6,8-difluoro-1-ethyl-7-(4-methyl-1-piperazinyl)-4-oxo-
RN: 75338-41-9
InChIKey: RAOISAYCLQDOND-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-F2-N3-O3

Molecular Weight

  • 351.3511
 
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Names and Synonyms

Synonyms

  • 1,4-Dihydro-6,8-difluoro-1-ethyl-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
  • 1-Ethyl-6,8-difluoro-1,4-dihydro-7-(1-(4-methylpiperazinyl))-4-oxoquinoline-3-carboxylic acid

Systematic Name

  • 3-Quinolinecarboxylic acid, 1,4-dihydro-6,8-difluoro-1-ethyl-7-(4-methyl-1-piperazinyl)-4-oxo-

Registry Numbers

CAS Registry Number

  • 75338-41-9

System Generated Number

  • 0075338419

Structure Descriptors

InChI

1S/C17H19F2N3O3/c1-3-21-9-11(17(24)25)16(23)10-8-12(18)15(13(19)14(10)21)22-6-4-20(2)5-7-22/h8-9H,3-7H2,1-2H3,(H,24,25)

InChIKey

RAOISAYCLQDOND-UHFFFAOYSA-N

Smiles

CCn1cc(c(=O)c2c1c(c(c(c2)F)N3CCN(CC3)C)F)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 196mg/kg (196mg/kg)   United States Patent Document. Vol. #4530930,
mouse LD50 oral 536mg/kg (536mg/kg)   United States Patent Document. Vol. #4530930,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.3 (none)   EXP
Water Solubility 8370 mg/L 25 EST
Vapor Pressure 1.11E-12 mm Hg 25 EST
Henry's Law Constant 2.23E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.27E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.