3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
Basic information
- CAS
1915-80-6- Standard SMILES
Cc1ccc(-n2c(C)nc3ccccc3c2=O)c(C)c1- InChIKey
MPMDMUROZIYIIM-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.12626314
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
- IUPAC
- 3-(2,4-dimethylphenyl)-2-methylquinazolin-4-one
- English name
- 2-Methyl-3-(2,4-dimethylphenyl)quinazolin-4(3H)-one
- Molecular formula
- C17H16N2O
- Molecular weight
- 264.32
Names & synonyms
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3h)-oneRefChem:910888Methylmethaqualone1915-80-64(3H)-Quinazolinone, 3-(2,4-dimethylphenyl)-2-methyl-3-(2,4-dimethylphenyl)-2-methylquinazolin-4-one4(3H)-Quinazolinone, 2-methyl-3-(2,4-xylyl)-842OA0464QQZH-2Ro 325B 192BRN 0887486
Show more names
3-(2,4-Dimethylphenyl)-2-methyl-4(3H)-quinazolinone
UNII-842OA0464Q2-Methyl-3-(2,4-xylyl)-4(3H)-quinazolinone2-Methyl-3-(2,4-dimethylphenyl)-4-quinazolone2-Methyl-3-(2',4'-dimethylphenyl)-4-chinazolinon [German]MLS0003321942-Methyl-3-(2',4'-dimethylphenyl)-4-chinazolinonSCHEMBL15515012-Methyl-3-(2,4-dimethylphenyl)quinazolin-4(3H)-one
Database identifiers
- CAS
1915-80-6- PubChem CID
- 63382
- DTXSID
DTXSID00172675- ChEMBL
CHEMBL1577701- UNII
- 842OA0464Q
- Nikkaji
- J48.188B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Depressants and Tranquilizers
Solubility>39.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 134 · 134-136 °C
- Boiling point
- 433.8 · 433.8±55.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS (pH 7.2) (1:1): 0.5 mg/ml
- form
- A crystalline solid
- pka
- 3.17 · 3.17±0.70(Predicted)
- FDA UNII
- 842 OA0464Q · 842OA0464Q
- Comptox DTXSID
- 172675 · DTXSID00172675
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
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
- hs_code
- 2933990099
- Toxicity
- LD50 oral in mouse: 360mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesMethylmethaqualone is an analogue of methaqualone that has similar sedative and hypnotic properties to its parent compound (resulting from its agonist activity at the β subtype of the GABAA receptor), and is around the same potency.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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