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Substance Name: 3-Methyl-4(3H)-quinazolinone
RN: 2436-66-0
UNII: 2E8G0QHA8T
InChIKey: FJVAQPINJBFBLI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H8-N2-O

Molecular Weight

  • 160.175
 
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Names and Synonyms

Name of Substance

  • 3-Methyl-4(3H)-quinazolinone

Synonyms

  • 3-Methyl-4-quinazolinone
  • 5-24-03-00026 (Beilstein Handbook Reference)
  • BRN 0124667
  • NSC 401251
  • UNII-2E8G0QHA8T

Systematic Name

  • 4(3H)-Quinazolinone, 3-methyl-

Registry Numbers

CAS Registry Number

  • 2436-66-0

FDA UNII

  • 2E8G0QHA8T

System Generated Number

  • 0002436660

Structure Descriptors

InChI

1S/C9H8N2O/c1-11-6-10-8-5-3-2-4-7(8)9(11)12/h2-6H,1H3

InChIKey

FJVAQPINJBFBLI-UHFFFAOYSA-N

Smiles

c12c(ncn(c1=O)C)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 321mg/kg (321mg/kg)   French Medicament Patent Document. Vol. #693M,
mouse LD50 oral 255mg/kg (255mg/kg)   French Medicament Patent Document. Vol. #693M,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.69 (none)   EXP
Water Solubility 1.76E+04 mg/L 25 EST
Vapor Pressure 1.24E-04 mm Hg 25 EST
Henry's Law Constant 8.02E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.46E-11 cm3/molecule-sec 25 EST

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