2-(chloromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one
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Basic information
- CAS
3166-54-9- Standard SMILES
Cc1ccccc1-n1c(CCl)nc2ccccc2c1=O- InChIKey
GZCHSUWHNMHICW-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O
- Average molar mass
- 284.74 g/mol
- Monoisotopic mass
- 284.0716407
Names & identifiers
- Preferred name
- 2-(chloromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one
- IUPAC
- 2-(chloromethyl)-3-(2-methylphenyl)quinazolin-4-one
- English name
- 2-(chloromethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone
- Molecular formula
- C16H13ClN2O
- Molecular weight
- 284.74
Names & synonyms
3166-54-92-(chloromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one2-(chloromethyl)-3-(2-methylphenyl)quinazolin-4-one2-(Chloromethyl)-3-(o-tolyl)quinazolin-4(3H)-one4(3H)-Quinazolinone, 2-(chloromethyl)-3-(2-methylphenyl)-2-(chloromethyl)-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-oneMFCD00665343ChloromethaqualoneSCHEMBL4393433NIOSH/VA2894500GZCHSUWHNMHICW-UHFFFAOYSA-NDTXSID101043389
Show more names
2-(Chloromethyl)-3-o-tolyl-4(3H)-quinazolinone4(3H)-Quinazolinone, 2-(chloromethyl)-3-o-tolyl-2-(chloromethyl)-3-(2-methylphenyl)-4-quinazolinone2-Chlormethyl-3-(2-methylphenyl)-chinazolon-4 [German]2-(chloromethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone
ALBB-024026AKOS003269633HY-W319189FC131766LS-07706PD198634ST45005715ST50433617
Database identifiers
- CAS
3166-54-9- PubChem CID
- 622902
- DTXSID
DTXSID101043389
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- solubility
- 10 mg/mlDMSO: · DMF: 10mg/mlDMSO: 1 mg/mlEthanol: 0.25 mg/ml
Chemistry & industry
Applications
Uses2-(Chloromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one is used in biological studies to examine hypnotic activity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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