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340-56-7 molecular structure
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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 and InChIs

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

Cite this record

CBID:153505 http://www.chembase.cn/molecule-153505.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
340-56-7
EC Number
206-431-2
200-659-6
MDL Number
MFCD00058185
PubChem SID
24896861
162247644
PubChem CID
63196

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 63196 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1684964  LogD (pH = 7.4) 3.1684964 
Log P 3.1684964  Molar Refractivity 77.1054 cm3
Polarizability 28.366055 Å3 Polar Surface Area 32.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
11 °C expand Show data source
51.8 °F expand Show data source
RTECS
VA4025000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1230 expand Show data source
2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
6.1 expand Show data source
Packing Group
2 expand Show data source
3 expand Show data source
Risk Statements
11-23/24/25-39/23/24/25 expand Show data source
22 expand Show data source
Safety Statements
7-16-36/37-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H301-H311-H331-H370 expand Show data source
H301 expand Show data source
GHS Precautionary statements
P210-P260-P280-P301 + P310-P311 expand Show data source
P301 + P310 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 1230 3/PG 2 expand Show data source
UN 2811 6.1/PG 3 expand Show data source
Drug Control
USDEA Schedule I; Home Office Schedule 2; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
1.0 mg/mL±5% in methanol expand Show data source
Empirical Formula (Hill Notation)
C16H14N2O · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - M3637 external link
Biochem/physiol Actions
Sedative/hypnotic that displaces diazepam from its binding site on the GABAA receptor inducing cytochrome P-450 and UDP-glucuronyltransferase activity.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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