Basic information
- Standard SMILES
CC1CN(Cc2c(-c3cccc(C(F)(F)F)c3)nc3ccc(S(=O)(=O)C(C)C)cc3c2C(=O)O)CCC1=O- InChIKey
OCGXXEQTJWSZSW-UHFFFAOYSA-N- Molecular formula
- C27H27F3N2O5S
- Average molar mass
- 548.6 g/mol
Names & identifiers
- Preferred name
- 6-[(1-Methylethyl)sulfonyl]-3-[(3-methyl-4-oxo-1-piperidinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid
- IUPAC
- 3-[(3-methyl-4-oxopiperidin-1-yl)methyl]-6-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
Names & synonyms
6-[(1-methylethyl)sulfonyl]-3-[(3-methyl-4-oxo-1-piperidinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acidSCHEMBL2461677
Database identifiers
- PubChem CID
- 67417231
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 982
Related reactions
2 records
Compound notes
Loading…