N-(5-chloro-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(2-oxo-6-(trifluoromethyl)quinolin-1(2H)-yl)acetamide

HCID 59636670

Notes Reactions

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Basic information

Standard SMILES: O=C(Cn1c(=O)ccc2cc(C(F)(F)F)ccc21)Nc1sc(Cl)cc1-c1ncn[nH]1
InChIKey: OENXBQLBKOLTFG-UHFFFAOYSA-N
Molecular formula: C18H11ClF3N5O2S
Average molar mass: 453.8 g/mol
Monoisotopic mass: 453.027408

Names & identifiers

Preferred name: N-(5-chloro-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(2-oxo-6-(trifluoromethyl)quinolin-1(2H)-yl)acetamide
IUPAC: N-[5-chloro-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide

Names & synonyms

N-(5-chloro-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(2-oxo-6-(trifluoromethyl)quinolin-1(2H)-yl)acetamideSCHEMBL3785334CHEMBL5799084BDBM351659US9796706, Compound 103US9796706, Compound 105

Database identifiers

PubChem CID: 59636670
ChEMBL: CHEMBL5799084

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 119 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 30
Formal charge: 0
Complexity: 712

Related reactions

3 records

New reaction record

HRID 808079As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1519883As productuspto-grants-2015_07

HRID 2098096As productuspto-grants-2013_05

Compound notes

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