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

C14H8F3N3O2S — CID 70536916

IUPAC4-oxo-N-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(c1c[nH]c2ccccc2c1=O)N(c1nccs1)C(F)(F)F
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)20(13-18-5-6-23-13)12(22)9-7-19-10-4-2-1-3-8(10)11(9)21/h1-7H,(H,19,21)
InChIKeyYQYPSDMMSJIJGB-UHFFFAOYSA-N
MW339.30 g/mol
LogP3.15
Rot. Bonds2

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

4-oxo-N-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 70536916) 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)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID70536916
Molecular FormulaC14H8F3N3O2S
Molecular Weight339.30 g/mol
Exact Mass339.03
IUPAC Name4-oxo-N-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(c1c[nH]c2ccccc2c1=O)N(c1nccs1)C(F)(F)F
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)20(13-18-5-6-23-13)12(22)9-7-19-10-4-2-1-3-8(10)11(9)21/h1-7H,(H,19,21)
InChIKeyYQYPSDMMSJIJGB-UHFFFAOYSA-N
XLogP3.15
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541
4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 70463970
N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide
CID 121014787
N-(1-acetamidopropyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 70462074
6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 74237743
N,4-dioxo-1H-quinoline-3-carboxamide
CID 118327935
2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 61021751
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 115620011
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
CID 43463190
3-[4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 136512739
ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 91288381
2-[(4-oxo-1H-quinoline-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79271415

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 70536916) is 4-oxo-N-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide is O=C(c1c[nH]c2ccccc2c1=O)N(c1nccs1)C(F)(F)F.
What is the InChIKey of 4-oxo-N-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is YQYPSDMMSJIJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2S/c15-14(16,17)20(13-18-5-6-23-13)12(22)9-7-19-10-4-2-1-3-8(10)11(9)21/h1-7H,(H,19,21).
What are the key properties of 4-oxo-N-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide?
4-oxo-N-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 339.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 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)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 70536916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).