5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline

C23H16ClF3N4OS — CID 155567397

IUPAC5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline
SMILESFC(F)(F)Oc1ccc(-c2cn(CC3=C(Cl)c4ccc(-c5cccs5)nc4CC3)nn2)cc1
InChIInChI=1S/C23H16ClF3N4OS/c24-22-15(5-9-18-17(22)8-10-19(28-18)21-2-1-11-33-21)12-31-13-20(29-30-31)14-3-6-16(7-4-14)32-23(25,26)27/h1-4,6-8,10-11,13H,5,9,12H2
InChIKeyILTLZHSAGCEZKF-UHFFFAOYSA-N
MW488.92 g/mol
LogP6.56
Rot. Bonds5

About 5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline

5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline (PubChem CID 155567397) has the molecular formula C23H16ClF3N4OS and a molecular weight of 488.92 g/mol. Its IUPAC name is 5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline.

Molecular Properties

Compound Name5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline
PubChem CID155567397
Molecular FormulaC23H16ClF3N4OS
Molecular Weight488.92 g/mol
Exact Mass488.07
IUPAC Name5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline
SMILESFC(F)(F)Oc1ccc(-c2cn(CC3=C(Cl)c4ccc(-c5cccs5)nc4CC3)nn2)cc1
InChIInChI=1S/C23H16ClF3N4OS/c24-22-15(5-9-18-17(22)8-10-19(28-18)21-2-1-11-33-21)12-31-13-20(29-30-31)14-3-6-16(7-4-14)32-23(25,26)27/h1-4,6-8,10-11,13H,5,9,12H2
InChIKeyILTLZHSAGCEZKF-UHFFFAOYSA-N
XLogP6.56
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.92
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline with MolForge

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Related Compounds

6-(1-benzyltriazol-4-yl)-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline
CID 155565038
6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline
CID 155549397
tert-butyl 4-[(5-chloro-2-thiophen-2-yl-7,8-dihydroquinolin-6-yl)methyl]piperazine-1-carboxylate
CID 155515167
4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]triazole
CID 162666489
1-[(4-tert-butylphenyl)methyl]-4-thiophen-2-yltriazole
CID 162664075
1-benzyl-4-thiophen-2-yltriazole
CID 11715687
N-methyl-3-[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]propan-1-amine;hydrochloride
CID 154900355
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
CID 43583892
1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)triazole
CID 129189733
1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole
CID 50852608
1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole
CID 70375481

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline?
The IUPAC name of 5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline (CID 155567397) is 5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline.
What is the SMILES notation for 5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline?
The canonical SMILES for 5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline is FC(F)(F)Oc1ccc(-c2cn(CC3=C(Cl)c4ccc(-c5cccs5)nc4CC3)nn2)cc1.
What is the InChIKey of 5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline?
The InChIKey is ILTLZHSAGCEZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4OS/c24-22-15(5-9-18-17(22)8-10-19(28-18)21-2-1-11-33-21)12-31-13-20(29-30-31)14-3-6-16(7-4-14)32-23(25,26)27/h1-4,6-8,10-11,13H,5,9,12H2.
What are the key properties of 5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline?
5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline has a molecular weight of 488.92 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-thiophen-2-yl-6-[[4-[4-(trifluoromethoxy)phenyl]triazol-1-yl]methyl]-7,8-dihydroquinoline is sourced from PubChem (CID 155567397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).