Basic information
- Standard SMILES
COc1c(C(C)CC(O)(C=Nc2cccc3[nH]c(=O)ccc23)C(F)(F)F)ccc(Cl)c1F- InChIKey
CBPKAXZKJLJQNU-UHFFFAOYSA-N- Molecular formula
- C22H19ClF4N2O3
- Average molar mass
- 470.8 g/mol
Names & identifiers
- Preferred name
- 5-{[4-(4-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentylidene]-amino}quinolin-2(1H)-one
- IUPAC
- 5-[[4-(4-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentylidene]amino]-1H-quinolin-2-one
Names & synonyms
5-{[4-(4-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentylidene]-amino}quinolin-2(1H)-oneSCHEMBL1261645SCHEMBL1261646SCHEMBL1261648
Database identifiers
- PubChem CID
- 66969477
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 734
Related reactions
2 records
Compound notes
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