2-Chloromethyl-3-(2-chlorophenyl)-8-trifluoromethyl-3H-quinazolin-4-one
Basic information
- Standard SMILES
O=c1c2cccc(C(F)(F)F)c2nc(CCl)n1-c1ccccc1Cl- InChIKey
NLGRBUCPQLUGRC-UHFFFAOYSA-N- Molecular formula
- C16H9Cl2F3N2O
- Average molar mass
- 373.2 g/mol
- Monoisotopic mass
- 372.0044028
Names & identifiers
- Preferred name
- 2-Chloromethyl-3-(2-chlorophenyl)-8-trifluoromethyl-3H-quinazolin-4-one
- IUPAC
- 2-(chloromethyl)-3-(2-chlorophenyl)-8-(trifluoromethyl)quinazolin-4-one
Names & synonyms
2-Chloromethyl-3-(2-chlorophenyl)-8-trifluoromethyl-3H-quinazolin-4-oneSCHEMBL733509
Database identifiers
- PubChem CID
- 22316550
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 526
Related reactions
8 records
Compound notes
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