Basic information
- CAS
7432-25-9- Standard SMILES
CCc1ccccc1-n1c(C)nc2ccccc2c1=O- InChIKey
UVTJKLLUVOTSOB-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.12626314
Overview
Etaqualone is a member of quinazolines.
Names & identifiers
- Preferred name
- 3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
- IUPAC
- 3-(2-ethylphenyl)-2-methylquinazolin-4-one
- English name
- Etaqualone
- Molecular formula
- C17H16N2O
- Molecular weight
- 264.32
Names & synonyms
Etaqualone7432-25-9HFS3HB32J7NSC-96163DTXSID60225333RefChem:10665273-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinoneDTXCID60147824AthinazoneAolanEthinazoneEtaqualone Hydrochloride
Show more names
EthaqualoneEtaqualone (3-(2-Ethylphenyl)-2-met2-Methyl-3-(o-ethylphenyl)-4-quinazolone3-(o-Ethylphenyl)-2-methyl-4(3H)-quinazolinone2-Methyl-3-(2-ethylphenyl)-4(3H)-quinazolinone
Etaqualone [INN]Etacualona4(3H)-Quinazolinone, 3-(2-ethylphenyl)-2-methyl-97979-65-23-(2-ethylphenyl)-2-methylquinazolin-4-oneNSC 961633-(o-Ethylphenyl)-2-methylquinazolin-4(3H)-one4(3H)-QUINAZOLINONE, 3-(o-ETHYLPHENYL)-2-METHYL-
Database identifiers
- CAS
7432-25-9- PubChem CID
- 23914
- DTXSID
DTXSID60225333- ChEMBL
CHEMBL2104633- ChEBI
CHEBI:135090
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 404
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Depressants and Tranquilizers
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Physicochemical properties
- Melting point
- 81 ℃ · 81℃
- Boiling point
- 421.1 · 421.1±38.0 °C(Predicted)
- Density
- 1.14 · 1.14
- solubility
- 5 mg/ml; · DMF: 5 mg/ml; DMSO: 5 mg/ml; Ethanol: 12 mg/ml; Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml
- form
- A crystalline solid
- pka
- 2.95 · 2.95±0.70(Predicted)
- FDA UNII
- 3 HB32J7 · HFS3HB32J7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
DescriptionEtaqualone (Item No. 11152) is an analytical reference standard categorized as a quinazolone. This product is intended for research and forensic applications.
UsesEtaqualone is an analog of the hypnotic methaqualone, a non-barbiturate sedative also known as Quaalude. Methaqualone is regulated (Schedule I) in the United States. The physiological and toxicological properties of etaqualone have been poorly delineated. This product is intended for forensic and research applications.[Cayman Chemical]
UsesEtaqualone is marketed as a sedative, hypnotic, muscle relaxant and central nervous system depressant. It has to ability to bind to the beta GABAA receptor which helps negate insomnia.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Etaqualone is a member of quinazolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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