Basic information
- CAS
340-57-8- Standard SMILES
Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl- InChIKey
SFITWQDBYUMAPS-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O
- Average molar mass
- 270.71 g/mol
- Monoisotopic mass
- 270.0559907
Names & identifiers
- Preferred name
- Mecloqualone
- IUPAC
- 3-(2-chlorophenyl)-2-methylquinazolin-4-one
- English name
- mecloqualone
- Molecular formula
- C15H11ClN2O
- Molecular weight
- 270.71
Names & synonyms
MECLOQUALONE340-57-8MeclocualonaNSC-142005W 4744Mecloqualonum3-(o-Chlorophenyl)-2-methyl-4(3H)-quinazolinoneDTXSID704887509XU4VDV7EW-4744DTXCID70288013-(2-Chloro-phenyl)-2-methyl-3H-quinazolin-4-one
Show more names
CHI-8mecloqualone USP/EP/BP3-(2-chlorophenyl)-2-methylquinazolin-4-one3-(2-chlorophenyl)-2-methyl-quinazolin-4-one3-(2-Chlorophenyl)-2-methylquinazolin-4(3H)-one
RefChem:810818206-432-8MecloqualonNubareneCasfenB 208-TroponCHI 84(3H)-Quinazolinone, 3-(2-chlorophenyl)-2-methyl-
Database identifiers
- CAS
340-57-8- PubChem CID
- 9567
- DTXSID
DTXSID7048875- ChEMBL
CHEMBL279960- ChEBI
CHEBI:135113- UNII
- 09XU4VDV7E
- EC Number
- 206-432-8
- Nikkaji
- J5.685E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Experimental & physicochemical properties
Kovats Retention Index2255；2232.1
Physicochemical properties
- Melting point
- 126 · 126-128°
- Boiling point
- 421.7 · 421.7±47.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 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
- 1.66 · 1.66±0.70(Predicted)
- CAS DataBase Reference
- 340 · 340-57-8
- FDA UNII
- 9 XU4VDV7E · 09XU4VDV7E
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
- DEA Controlled Substances
- 2572 CSA · CSCN: 2572CSA SCH: Schedule INARC: No
Safety & regulation
Hazard information
Regulatory InformationDEA schedule I controlled substance
Regulatory information
Regulatory InformationDEA schedule I controlled substance
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
- DEA Controlled Substances
- CSCN: 2572CSA SCH: Schedule INARC: No
Chemistry & industry
Applications
UsesSedative-hypnotic.
Additional notes
DefinitionChEBI: Mecloqualone is a member of quinazolines.
Related reactions
5 records
Compound notes
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