2-methyl-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one hydrochloride

• ChemBase ID: 153505
• Molecular Formular: C16H15ClN2O
• Molecular Mass: 286.7561
• Monoisotopic Mass: 286.08729079
• SMILES: Cc1ccccc1n1c(nc2ccccc2c1=O)C.Cl
• Canonical SMILES: Cc1nc2ccccc2c(=O)n1c1ccccc1C.Cl
• InChI: 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
• InChIKey: KJUHIXIWKSVBKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one hydrochloride
• IUPAC Traditional name: sonal hydrochloride
• Synonyms: 2-Methyl-3-(2-methylphenyl)-4(3H)-quinazolinone hydrochloride; Methaqualone hydrochloride; 2-甲基-3-(2-甲基苯基)-4(3H)-喹唑啉酮 盐酸盐; 安眠酮 盐酸盐

Database IDs

• CAS Number: 340-56-7
• EC Number: 206-431-2; 200-659-6
• MDL Number: MFCD00058185
• PubChem SID: 24896861; 162247644
• PubChem CID: 63196

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1684964
• LogD (pH = 7.4): 3.1684964
• Log P: 3.1684964
• Molar Refractivity: 77.1054 cm^3
• Polarizability: 28.366055 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 11 °C; 51.8 °F

Safety Information

• RTECS: VA4025000
• European Hazard Symbols: Flammable (F); Toxic (T); Harmful (Xn)
• UN Number: 1230; 2811
• German water hazard class: 1; 3
• Hazard Class: 3; 6.1
• Packing Group: 2; 3
• Risk Statements: 11-23/24/25-39/23/24/25; 22
• Safety Statements: 7-16-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H331-H370; H301
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311; P301 + P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1230 3/PG 2; UN 2811 6.1/PG 3
• Drug Control: USDEA Schedule I; Home Office Schedule 2; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada
• Storage Temperature: 2-8°C

Product Information

• Concentration: 1.0 mg/mL±5% in methanol
• Empirical Formula (Hill Notation): C16H14N2O · HCl

DETAILS

Sigma Aldrich - M3637

Biochem/physiol Actions
Sedative/hypnotic that displaces diazepam from its binding site on the GABAA receptor inducing cytochrome P-450 and UDP-glucuronyltransferase activity.