4-(2-methyl-5-methylsulfonyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline

HCID 68458232
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Basic information

Standard SMILES
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccnc2c(C(F)(F)F)cccc12
InChIKey
LMHSJTYEVJACJF-UHFFFAOYSA-N
Molecular formula
C20H15F3N2O2S
Average molar mass
404.4 g/mol
Monoisotopic mass
404.08063339

Names & identifiers

Preferred name
4-(2-methyl-5-methylsulfonyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline
IUPAC
4-(2-methyl-5-methylsulfonyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline

Names & synonyms

SCHEMBL2961361LMHSJTYEVJACJF-UHFFFAOYSA-N4-(2-methyl-5-methylsulfonyl-1H-indol-3-yl)-8-(trifluoromethyl)quinoline

Database identifiers

PubChem CID
68458232

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
71.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
28

Related reactions

1 records
New reaction record

Compound notes

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