3-(5,6-Dimethyl-pyridine-3-carbonyl)-1-(6-trifluoromethyl-pyridin-2-ylmethyl)-1H-quinolin-4-one
Basic information
- Standard SMILES
Cc1cc(C(=O)c2cn(Cc3cccc(C(F)(F)F)n3)c3ccccc3c2=O)cnc1C- InChIKey
OJQBPCTYUVRXNB-UHFFFAOYSA-N- Molecular formula
- C24H18F3N3O2
- Average molar mass
- 437.4 g/mol
- Monoisotopic mass
- 437.13511131
Names & identifiers
- Preferred name
- 3-(5,6-Dimethyl-pyridine-3-carbonyl)-1-(6-trifluoromethyl-pyridin-2-ylmethyl)-1H-quinolin-4-one
- IUPAC
- 3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-4-one
Names & synonyms
3-(5,6-Dimethyl-pyridine-3-carbonyl)-1-(6-trifluoromethyl-pyridin-2-ylmethyl)-1H-quinolin-4-oneSCHEMBL1083286
Database identifiers
- PubChem CID
- 57754751
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 753
Related reactions
2 records
Compound notes
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