6-(ethylsulfonyl)-7-(methyloxy)-3-{[4-(4-morpholinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-4-quinolinecarboxamide

HCID 53476110

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCS(=O)(=O)c1cc2c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c(CN3CCC(N4CCOCC4)CC3)c(-c3cccc(C(F)(F)F)c3)nc2cc1OC
InChIKey: NZHYZQVZZCPHKQ-PGUFJCEWSA-N
Molecular formula: C38H40F6N4O5S
Average molar mass: 778.8 g/mol
Monoisotopic mass: 778.26236054

Names & identifiers

Preferred name: 6-(ethylsulfonyl)-7-(methyloxy)-3-{[4-(4-morpholinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-4-quinolinecarboxamide
IUPAC: 6-ethylsulfonyl-7-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4-carboxamide

Names & synonyms

6-(ethylsulfonyl)-7-(methyloxy)-3-{[4-(4-morpholinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-4-quinolinecarboxamideSCHEMBL6900673

Database identifiers

PubChem CID: 53476110

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 109 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 14
Rotatable bonds: 10
Heavy atoms: 54
Formal charge: 0
Complexity: 1,330

Related reactions

1 records

New reaction record

HRID 245169As productuspto-grants-2014_02

Compound notes

Loading…