Basic information
- CAS
69123-70-2- Standard SMILES
Cc1ccccc1-n1c(CF)nc2ccc(Cl)cc2c1=O- InChIKey
RFWMXPLFFKPBAL-UHFFFAOYSA-N- Molecular formula
- C16H12ClFN2O
- Average molar mass
- 302.73 g/mol
- Monoisotopic mass
- 302.0622189
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-chloro-2-(fluoromethyl)-3-(2-methylphenyl)-
- IUPAC
- 6-chloro-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 6-chloro-2-(fluoromethyl)-3-(2-methylphenyl)-69123-70-2BRN 08200026-Chloro-2-(fluoromethyl)-3-(2-methylphenyl)-4(3H)-quinazolinoneCHEMBL3246264DTXSID302191886-chloro-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one
Database identifiers
- CAS
69123-70-2- PubChem CID
- 63508
- DTXSID
DTXSID30219188- ChEMBL
CHEMBL3246264
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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