Basic information
- CAS
49579-28-4- Standard SMILES
CCc1nc2ccc(F)cc2c(=O)n1-c1cccc(C(F)(F)F)c1- InChIKey
POAWZLDHMMBGRL-UHFFFAOYSA-N- Molecular formula
- C17H12F4N2O
- Average molar mass
- 336.28 g/mol
- Monoisotopic mass
- 336.08857566
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)-
- IUPAC
- 2-ethyl-6-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 2-ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)-49579-28-4BRN 08430902-Ethyl-6-fluoro-3-(3-(trifluoromethyl)phenyl)-4(3H)-quinazolinoneDTXSID201978852-Ethyl-6-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
Database identifiers
- CAS
49579-28-4- PubChem CID
- 63786
- DTXSID
DTXSID20197885
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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