Basic information
- Standard SMILES
COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CC[n+]1cscc1C.[Br-]- InChIKey
CJMIORBFMKHOBR-UHFFFAOYSA-N- Molecular formula
- C25H20BrClFN5O2S
- Average molar mass
- 588.9 g/mol
- Monoisotopic mass
- 587.01936
Names & identifiers
- Preferred name
- 3-{3-[4-(3-Chloro-4-fluoro-phenylamino)-3-cyano-7-methoxy-quinolin-6-ylcarbamoyl]-allyl}-4-methyl-thiazol-3-ium bromide
- IUPAC
- N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]-4-(4-methyl-1,3-thiazol-3-ium-3-yl)but-2-enamide bromide
Names & synonyms
SCHEMBL1890281CJMIORBFMKHOBR-UHFFFAOYSA-N3-{3-[4-(3-chloro-4-fluoro-phenylamino)-3-cyano-7-methoxy-quinolin-6-ylcarbamoyl]-allyl}-4-methyl-thiazol-3-ium bromide
Database identifiers
- PubChem CID
- 67201820
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 812
Related reactions
2 records
Compound notes
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