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Substance Name: 4-Hydroxyquinazoline
RN: 491-36-1
UNII: 84JOT4EY5X
InChIKey: QMNUDYFKZYBWQX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H6-N2-O

Molecular Weight

  • 146.148
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxyquinazoline

Synonyms

  • 4(3H)-Quinazolone
  • 4-Hydroxyquinazoline
  • 4-Oxoquinazoline
  • 4-Quinazolinol
  • 4-Quinazolinone
  • 4-Quinazolone
  • CCRIS 6801
  • EINECS 207-735-8
  • NSC 5863
  • UNII-84JOT4EY5X

Systematic Names

  • 4(3H)-Quinazolinone
  • 4-Hydroxyquinazoline
  • Quinazolin-4(1H)-one

Registry Numbers

CAS Registry Number

  • 491-36-1

FDA UNII

  • 84JOT4EY5X

System Generated Number

  • 0000491361

Structure Descriptors

InChI

1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)

InChIKey

QMNUDYFKZYBWQX-UHFFFAOYSA-N

Smiles

c1cccc2c1ncnc2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 1204, 1962.
mouse LD50 oral 609mg/kg (609mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 1204, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 217.5 deg C   EXP
log P (octanol-water) 0.77 (none)   EXP
Water Solubility 1.74E+04 mg/L 25 EST
Vapor Pressure 2.40E-07 mm Hg 25 EST
Henry's Law Constant 3.65E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.46E-11 cm3/molecule-sec 25 EST

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