7-[(1-Methylethyl)oxy]-6-(methylsulfonyl)-3-{[4-(4-morpholinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid (HCID 67418355)

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Basic information

Standard SMILES: CC(C)Oc1cc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCOCC4)CC3)c(C(=O)O)c2cc1S(C)(=O)=O
InChIKey: WAXCOINHDHMHJE-UHFFFAOYSA-N
Molecular formula: C31H36F3N3O6S
Average molar mass: 635.7 g/mol
Monoisotopic mass: 635.22769154

Names & identifiers

Preferred name: 7-[(1-Methylethyl)oxy]-6-(methylsulfonyl)-3-{[4-(4-morpholinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid
IUPAC: 6-methylsulfonyl-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-7-propan-2-yloxy-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

Names & synonyms

7-[(1-methylethyl)oxy]-6-(methylsulfonyl)-3-{[4-(4-morpholinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acidSCHEMBL2464735

Database identifiers

PubChem CID: 67418355

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 118 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 12
Rotatable bonds: 8
Heavy atoms: 44
Formal charge: 0
Complexity: 1,070

Related reactions

2 records

New reaction record

HRID 245187As productuspto-grants-2014_02

HRID 245188As reactantuspto-grants-2014_02

Compound notes

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