2-methyl-3-[2-（trifluoromethyl）phenyl]quinazolin-4-one,hydrochloride - ≥98% , GABA-A receptor; anion channel positive allosteric modulator, CAS No.2915-01-7, GABA-A receptor; anion channel positive allosteric modulator

CAS: 2915-01-7 Cat. No.: M670946 Molecular Weight: 340.73

GRADE & PURITY ≥98%

Synonyms

Methaqualone hydrochloride | 4(3H)-Quinazolinone, monohydrochloride | Mozambin hydrochloride | Quaalude hydrochloride | 4(3H)-Quinazolinone, 2-methyl-3-o-tolyl-, hydrochloride | 2-Methyl-3-(2'-trifluormethylphenyl) chinazolon-4 hydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Methaqualone hydrochloride | 4(3H)-Quinazolinone, monohydrochloride | Mozambin hydrochloride | Quaalude hydrochloride | 4(3H)-Quinazolinone, 2-methyl-3-o-tolyl-, hydrochloride | 2-Methyl-3-(2'-trifluormethylphenyl) chinazolon-4 hydrochloride

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

POSITIVE ALLOSTERIC MODULATOR

Mechanism of action

GABA-A receptor; anion channel positive allosteric modulator

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C.Cl
• IUPAC Name: 2-methyl-3-(2-methylphenyl)quinazolin-4-one;hydrochloride
• InChIKey: KJUHIXIWKSVBKB-UHFFFAOYSA-N
• INCHI: 1S/C16H14N2O.ClH/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19;/h3-10H,1-2H3;1H
• Isomeric SMILES: CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C.Cl
• Molecular Weight: 340.73
• Reaxy-Rn: 3734596
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3734596&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Toluenes Pyrimidones Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Pyrimidone - Toluene - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 286.750 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 286.087 Da
• Monoisotopic Mass: 286.087 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 390.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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