4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide

C20H12F3N3O2S — CID 45254742

IUPAC4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c(=O)cc(-c3ccccc3C(F)(F)F)[nH]c12
InChIInChI=1S/C20H12F3N3O2S/c21-20(22,23)14-7-2-1-4-11(14)15-10-16(27)12-5-3-6-13(17(12)25-15)18(28)26-19-24-8-9-29-19/h1-10H,(H,25,27)(H,24,26,28)
InChIKeyQINQRPWJLUJRIE-UHFFFAOYSA-N
MW415.40 g/mol
LogP4.92
Rot. Bonds3

About 4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide

4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide (PubChem CID 45254742) has the molecular formula C20H12F3N3O2S and a molecular weight of 415.40 g/mol. Its IUPAC name is 4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide
PubChem CID45254742
Molecular FormulaC20H12F3N3O2S
Molecular Weight415.40 g/mol
Exact Mass415.06
IUPAC Name4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c(=O)cc(-c3ccccc3C(F)(F)F)[nH]c12
InChIInChI=1S/C20H12F3N3O2S/c21-20(22,23)14-7-2-1-4-11(14)15-10-16(27)12-5-3-6-13(17(12)25-15)18(28)26-19-24-8-9-29-19/h1-10H,(H,25,27)(H,24,26,28)
InChIKeyQINQRPWJLUJRIE-UHFFFAOYSA-N
XLogP4.92
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide
CID 87189840
2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-7-carboxamide
CID 87688369
2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-4-carboxamide
CID 87688373
2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279339
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
2-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278970
N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367685
[2-(2-carbamoylphenyl)-3-(1,3-thiazol-2-ylcarbamoyl)phenyl]boronic acid
CID 87176257
[4-oxo-3-(1,3-thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl] 2-benzylidenepentanoate
CID 151079146
2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58279405
N-(1,3-thiazol-2-yl)phenazine-1-carboxamide
CID 3713587
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide?
The IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide (CID 45254742) is 4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide.
What is the SMILES notation for 4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide?
The canonical SMILES for 4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide is O=C(Nc1nccs1)c1cccc2c(=O)cc(-c3ccccc3C(F)(F)F)[nH]c12.
What is the InChIKey of 4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide?
The InChIKey is QINQRPWJLUJRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2S/c21-20(22,23)14-7-2-1-4-11(14)15-10-16(27)12-5-3-6-13(17(12)25-15)18(28)26-19-24-8-9-29-19/h1-10H,(H,25,27)(H,24,26,28).
What are the key properties of 4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide?
4-oxo-N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 4.92, 3 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-[2-(trifluoromethyl)phenyl]-1H-quinoline-8-carboxamide is sourced from PubChem (CID 45254742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).