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Substance Name: 2(1H)-Quinazolinone, 4-phenyl-
RN: 23441-75-0
InChIKey: FHUBTSLLILWICW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H10-N2-O

Molecular Weight

  • 222.246
 
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Names and Synonyms

Synonyms

  • 4-Phenyl-2(1H)-quinazolinone
  • 5-24-04-00247 (Beilstein Handbook Reference)
  • BRN 0171247

Systematic Name

  • 2(1H)-Quinazolinone, 4-phenyl-

Registry Numbers

CAS Registry Number

  • 23441-75-0

System Generated Number

  • 0023441750

Structure Descriptors

InChI

1S/C14H10N2O/c17-14-15-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)

InChIKey

FHUBTSLLILWICW-UHFFFAOYSA-N

Smiles

c1cc2[nH]c(nc(c3ccccc3)c2cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 495, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.91 (none)   EXP
Water Solubility 783 mg/L 25 EST
Vapor Pressure 2.91E-07 mm Hg 25 EST
Henry's Law Constant 3.81E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.55E-11 cm3/molecule-sec 25 EST

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