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Substance Name: 2(1H)-Quinazolinone, 6-methyl-4-phenyl-
RN: 13961-64-3
InChIKey: ULRSRGDZNASHQP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-N2-O

Molecular Weight

  • 236.273
 
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Names and Synonyms

Synonyms

  • 5-24-04-00373 (Beilstein Handbook Reference)
  • 6-Methyl-4-phenyl-2(1H)-quinazolinone
  • BRN 0194242

Systematic Name

  • 2(1H)-Quinazolinone, 6-methyl-4-phenyl-

Registry Numbers

CAS Registry Number

  • 13961-64-3

System Generated Number

  • 0013961643

Structure Descriptors

InChI

1S/C15H12N2O/c1-10-7-8-13-12(9-10)14(17-15(18)16-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)

InChIKey

ULRSRGDZNASHQP-UHFFFAOYSA-N

Smiles

c1c2[nH]c(nc(c3ccccc3)c2cc(c1)C)=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) 2.32 (none)   EXP
Water Solubility 294 mg/L 25 EST
Vapor Pressure 1.16E-07 mm Hg 25 EST
Henry's Law Constant 4.21E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.72E-11 cm3/molecule-sec 25 EST

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