4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide

C14H8F3N3O2S — CID 13381362

IUPAC4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(C(F)(F)F)[nH]c2ccccc2c1=O
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)11-9(12(22)20-13-18-5-6-23-13)10(21)7-3-1-2-4-8(7)19-11/h1-6H,(H,19,21)(H,18,20,22)
InChIKeyIQJZLNVSISHLNM-UHFFFAOYSA-N
MW339.30 g/mol
LogP3.26
Rot. Bonds2

About 4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide

4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 13381362) has the molecular formula C14H8F3N3O2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID13381362
Molecular FormulaC14H8F3N3O2S
Molecular Weight339.30 g/mol
Exact Mass339.03
IUPAC Name4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(C(F)(F)F)[nH]c2ccccc2c1=O
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)11-9(12(22)20-13-18-5-6-23-13)10(21)7-3-1-2-4-8(7)19-11/h1-6H,(H,19,21)(H,18,20,22)
InChIKeyIQJZLNVSISHLNM-UHFFFAOYSA-N
XLogP3.26
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 13381362) is 4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide is O=C(Nc1nccs1)c1c(C(F)(F)F)[nH]c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is IQJZLNVSISHLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2S/c15-14(16,17)11-9(12(22)20-13-18-5-6-23-13)10(21)7-3-1-2-4-8(7)19-11/h1-6H,(H,19,21)(H,18,20,22).
What are the key properties of 4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide?
4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 339.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 13381362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).