Basic information
- Standard SMILES
CC(c1cc2cccc(Cl)c2nc1-n1ccc(C(F)(F)F)n1)N1C(=O)c2ccccc2C1=O- InChIKey
SHBLASKLTGOHEL-UHFFFAOYSA-N- Molecular formula
- C23H14ClF3N4O2
- Average molar mass
- 470.8 g/mol
- Monoisotopic mass
- 470.0757379
Names & identifiers
- Preferred name
- 2-[1-[8-Chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-3-yl]ethyl]isoindole-1,3-dione
- IUPAC
- 2-[1-[8-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-3-yl]ethyl]isoindole-1,3-dione
Database identifiers
- PubChem CID
- 76599366
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 759
Related reactions
1 records
Compound notes
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