Basic information
- Standard SMILES
CCS(=O)(=O)c1cc2c(C(=O)OC)c(CN3CCC(N4CCOCC4)CC3)c(-c3cccc(C(F)(F)F)c3)nc2cc1OC- InChIKey
QEKRQTCVWIKKDK-UHFFFAOYSA-N- Molecular formula
- C31H36F3N3O6S
- Average molar mass
- 635.7 g/mol
Names & identifiers
- Preferred name
- Methyl 6-(ethylsulfonyl)-7-(methyloxy)-3-{[4-(4-morpholinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxylate
- IUPAC
- methyl 6-ethylsulfonyl-7-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
Names & synonyms
methyl 6-(ethylsulfonyl)-7-(methyloxy)-3-{[4-(4-morpholinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxylateSCHEMBL2461659
Database identifiers
- PubChem CID
- 67417221
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
2 records
Compound notes
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