2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide

C21H13F3N2O2S — CID 18268811

IUPAC2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C21H13F3N2O2S/c22-21(23,24)28-18-9-4-3-8-16(18)26-20(27)14-12-17(19-10-5-11-29-19)25-15-7-2-1-6-13(14)15/h1-12H,(H,26,27)
InChIKeyORNCMWWJSMFYGG-UHFFFAOYSA-N
MW414.41 g/mol
LogP6.11
Rot. Bonds4

About 2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide

2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide (PubChem CID 18268811) has the molecular formula C21H13F3N2O2S and a molecular weight of 414.41 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
PubChem CID18268811
Molecular FormulaC21H13F3N2O2S
Molecular Weight414.41 g/mol
Exact Mass414.06
IUPAC Name2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C21H13F3N2O2S/c22-21(23,24)28-18-9-4-3-8-16(18)26-20(27)14-12-17(19-10-5-11-29-19)25-15-7-2-1-6-13(14)15/h1-12H,(H,26,27)
InChIKeyORNCMWWJSMFYGG-UHFFFAOYSA-N
XLogP6.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.41
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
methyl 4-fluoro-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 46519301
N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2340923
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2090181
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate
CID 4154099
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2129311

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide (CID 18268811) is 2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide?
The InChIKey is ORNCMWWJSMFYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O2S/c22-21(23,24)28-18-9-4-3-8-16(18)26-20(27)14-12-17(19-10-5-11-29-19)25-15-7-2-1-6-13(14)15/h1-12H,(H,26,27).
What are the key properties of 2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide?
2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide has a molecular weight of 414.41 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 18268811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).