2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline

C22H16F3NS — CID 123961438

IUPAC2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline
SMILESFC(F)(F)c1ccc(-c2csc(CCc3ccc4ccccc4n3)c2)cc1
InChIInChI=1S/C22H16F3NS/c23-22(24,25)18-8-5-15(6-9-18)17-13-20(27-14-17)12-11-19-10-7-16-3-1-2-4-21(16)26-19/h1-10,13-14H,11-12H2
InChIKeyRRLWALZGWWGSQF-UHFFFAOYSA-N
MW383.44 g/mol
LogP6.77
Rot. Bonds4

About 2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline

2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline (PubChem CID 123961438) has the molecular formula C22H16F3NS and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline
PubChem CID123961438
Molecular FormulaC22H16F3NS
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC Name2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline
SMILESFC(F)(F)c1ccc(-c2csc(CCc3ccc4ccccc4n3)c2)cc1
InChIInChI=1S/C22H16F3NS/c23-22(24,25)18-8-5-15(6-9-18)17-13-20(27-14-17)12-11-19-10-7-16-3-1-2-4-21(16)26-19/h1-10,13-14H,11-12H2
InChIKeyRRLWALZGWWGSQF-UHFFFAOYSA-N
XLogP6.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline
CID 122265
2-(2-Thienyl)quinoline
CID 251365
3-(3-Thienyl)quinoline
CID 10242258
4-(4-Methyl-1-piperazinyl)-2-(2-thienyl)quinoline
CID 453076
2-(Phenylthio)quinoline
CID 89621
7-Fluoro-3-thiophen-3-yl-quinoline
CID 10398928
5-Fluoro-3-thiophen-3-yl-quinoline
CID 10421346
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(thiophen-2-yl)quinoline
CID 25156480
6,7-Difluoro-3-thiophen-3-yl-quinoline
CID 10106010
6-[2-(2-Methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline
CID 56673158
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(thiophen-3-yl)quinoline
CID 10426299
2-phenyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
CID 118908931

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline?
The IUPAC name of 2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline (CID 123961438) is 2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline.
What is the SMILES notation for 2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline?
The canonical SMILES for 2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline is FC(F)(F)c1ccc(-c2csc(CCc3ccc4ccccc4n3)c2)cc1.
What is the InChIKey of 2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline?
The InChIKey is RRLWALZGWWGSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NS/c23-22(24,25)18-8-5-15(6-9-18)17-13-20(27-14-17)12-11-19-10-7-16-3-1-2-4-21(16)26-19/h1-10,13-14H,11-12H2.
What are the key properties of 2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline?
2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline has a molecular weight of 383.44 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]ethyl]quinoline is sourced from PubChem (CID 123961438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).