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Substance Name: 4-Nitroquinoline-N-oxide
RN: 56-57-5
UNII: X5081510EV
InChIKey: YHQDZJICGQWFHK-UHFFFAOYSA-N

Note

  • A potent mutagen and carcinogen. This compound and its metabolite 4-HYDROXYAMINOQUINOLINE-1-OXIDE bind to nucleic acids. It inactivates bacteria but not bacteriophage.

Molecular Formula

  • C9-H6-N2-O3

Molecular Weight

  • 190.1574
 

Classification Codes

  • Carcinogens
  • Mutagens
  • Mutation Data
  • Noxae
  • Reproductive Effect
  • Tumor Data
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Names and Synonyms

Name of Substance

  • 4-Nitroquinoline-1-oxide
  • 4-Nitroquinoline-N-oxide

MeSH Heading

  • 4-Nitroquinoline-1-oxide

Synonyms

  • 4 NQO
  • 4-Nitrochinolin N-oxid
  • 4-Nitrochinolin N-oxid [Swedish]
  • 4-Nitroquinolin-1-oxide
  • 4-Nitroquinoline 1-oxide
  • 4-Nitroquinoline N-oxide
  • 4-Nitroquinoline oxide
  • 4-Nitroquinoline-1-oxide
  • 4-Nitroquinoline-N-oxide
  • 4-NQO
  • 4NQO
  • 5-20-07-00324 (Beilstein Handbook Reference)
  • AI3-60200
  • BRN 0165756
  • CCRIS 458
  • EINECS 200-281-1
  • HSDB 4316
  • Nitrochin
  • NSC 19645
  • Quinoline, 4-nitro-, 1-oxide
  • Quinoline, 4-nitro-, oxide
  • UNII-X5081510EV

Systematic Names

  • 4-Nitroquinoline 1-oxide
  • 4-Nitroquinoline N-oxide
  • Quinoline, 4-nitro-, 1-oxide

Superlist Names

  • 4-Nitroquinoline-1-oxide
  • Quinoline, 4-nitro-, 1-oxide

Registry Numbers

CAS Registry Number

  • 56-57-5

FDA UNII

  • X5081510EV

Other Registry Numbers

  • 52002-25-2
  • 711-56-8

System Generated Number

  • 0000056575

Structure Descriptors

InChI

1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H

InChIKey

YHQDZJICGQWFHK-UHFFFAOYSA-N

Smiles

c12c(n(=O)ccc1[N+](=O)[O-])cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 911, 1979.
rat LD50 subcutaneous 12600ug/kg (12.6mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Japanese Journal of Pharmacology. Vol. 20, Pg. 264, 1970.
rat LDLo intraperitoneal 40mg/kg (40mg/kg)   Biochemical Pharmacology. Vol. 13, Pg. 285, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 154 deg C   EXP
log P (octanol-water) 1.09 (none)   EXP
Water Solubility 2340 mg/L 25 EST
Vapor Pressure 2.60E-06 mm Hg 25 EST
Henry's Law Constant 2.72E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.80E-12 cm3/molecule-sec 25 EST

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