Basic information
- Standard SMILES
COc1nc2c(C)cc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1-c1ccc(OC(F)(F)F)cc1.O=C(O)C(F)(F)F- InChIKey
YTDOMNJKXHXHLJ-UHFFFAOYSA-N- Molecular formula
- C31H22ClF9N4O5
- Average molar mass
- 737 g/mol
- Monoisotopic mass
- 736.113501
Names & identifiers
- Preferred name
- (4-Chloro-2-methoxy-8-methyl-3-(4-(trifluoromethoxy)phenyl)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol.TFA
- IUPAC
- [4-chloro-2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;2,2,2-trifluoroacetic acid
Names & synonyms
YTDOMNJKXHXHLJ-UHFFFAOYSA-N(4-Chloro-2-methoxy-8-methyl-3-(4-(trifluoromethoxy)phenyl)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol.TFA
Database identifiers
- PubChem CID
- 86716151
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 6
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
1 records
Compound notes
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