Trifluoro-methanesulfonic acid 6-cyano-3-(3-methyl-isoxazol-5-yl)-2-oxo-1,2-dihydro-quinolin-4-yl ester

HCID 136355240
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Basic information

Standard SMILES
Cc1cc(-c2c(OS(=O)(=O)C(F)(F)F)c3cc(C#N)ccc3[nH]c2=O)on1
InChIKey
BZJNVDMXTXICLF-UHFFFAOYSA-N
Molecular formula
C15H8F3N3O5S
Average molar mass
399.3 g/mol
Monoisotopic mass
399.01367602

Names & identifiers

Preferred name
Trifluoro-methanesulfonic acid 6-cyano-3-(3-methyl-isoxazol-5-yl)-2-oxo-1,2-dihydro-quinolin-4-yl ester
IUPAC
[6-cyano-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinolin-4-yl] trifluoromethanesulfonate

Names & synonyms

trifluoro-methanesulfonic acid 6-cyano-3-(3-methyl-isoxazol-5-yl)-2-oxo-1,2-dihydro-quinolin-4-yl esterSCHEMBL4844906DUPSXSOGHMAFBO-UHFFFAOYSA-N

Database identifiers

PubChem CID
136355240

Properties

Computed structural properties

XLogP
2
Topological polar surface area
131 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
3
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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