4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline

C20H11ClF3NS — CID 102412198

IUPAC4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2c(-c3ccc(Cl)cc3)cc(-c3ccsc3)nc2c1
InChIInChI=1S/C20H11ClF3NS/c21-15-4-1-12(2-5-15)17-10-18(13-7-8-26-11-13)25-19-9-14(20(22,23)24)3-6-16(17)19/h1-11H
InChIKeyVUFJXPQVVCCDMY-UHFFFAOYSA-N
MW389.83 g/mol
LogP7.30
Rot. Bonds2

About 4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline

4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline (PubChem CID 102412198) has the molecular formula C20H11ClF3NS and a molecular weight of 389.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline
PubChem CID102412198
Molecular FormulaC20H11ClF3NS
Molecular Weight389.83 g/mol
Exact Mass389.03
IUPAC Name4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2c(-c3ccc(Cl)cc3)cc(-c3ccsc3)nc2c1
InChIInChI=1S/C20H11ClF3NS/c21-15-4-1-12(2-5-15)17-10-18(13-7-8-26-11-13)25-19-9-14(20(22,23)24)3-6-16(17)19/h1-11H
InChIKeyVUFJXPQVVCCDMY-UHFFFAOYSA-N
XLogP7.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.83
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)quinoline
CID 11825462
2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
CID 44817568
2-chloro-9-methyl-6-(trifluoromethyl)acridine
CID 146170270
4-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline
CID 56807096
1-bromo-2-(4-chlorophenyl)-4-(trifluoromethyl)benzene
CID 170795050
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 80746977
4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline
CID 114589434
6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline
CID 102402532
azane;4-chlorocyclopropa[b]indole
CID 174412946
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
3-chloro-6-(4-methylphenyl)-12-[4-(trifluoromethyl)phenyl]chrysene
CID 58501237

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline?
The IUPAC name of 4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline (CID 102412198) is 4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline?
The canonical SMILES for 4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline is FC(F)(F)c1ccc2c(-c3ccc(Cl)cc3)cc(-c3ccsc3)nc2c1.
What is the InChIKey of 4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline?
The InChIKey is VUFJXPQVVCCDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF3NS/c21-15-4-1-12(2-5-15)17-10-18(13-7-8-26-11-13)25-19-9-14(20(22,23)24)3-6-16(17)19/h1-11H.
What are the key properties of 4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline?
4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline has a molecular weight of 389.83 g/mol, XLogP of 7.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-thiophen-3-yl-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 102412198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).