6-[(1-methylethyl)sulfonyl]-3-{[3-methyl-4-(4-morpholinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-4-quinolinecarboxamide

HCID 53476792
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Basic information

Standard SMILES
CC1CN(Cc2c(-c3cccc(C(F)(F)F)c3)nc3ccc(S(=O)(=O)C(C)C)cc3c2C(=O)N[C@H](c2ccccc2)C(F)(F)F)CCC1N1CCOCC1
InChIKey
PKJYVSDXVOOCEH-YFGIIPPGSA-N
Molecular formula
C39H42F6N4O4S
Average molar mass
776.8 g/mol

Names & identifiers

Preferred name
6-[(1-methylethyl)sulfonyl]-3-{[3-methyl-4-(4-morpholinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-4-quinolinecarboxamide
IUPAC
3-[(3-methyl-4-morpholin-4-ylpiperidin-1-yl)methyl]-6-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4-carboxamide

Names & synonyms

6-[(1-methylethyl)sulfonyl]-3-{[3-methyl-4-(4-morpholinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-4-quinolinecarboxamideSCHEMBL6899348

Database identifiers

PubChem CID
53476792

Properties

Computed structural properties

XLogP
7.2
Topological polar surface area
100 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
13
Rotatable bonds
9
Heavy atoms
54

Related reactions

1 records
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Compound notes

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