4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline

C19H15FN4S — CID 141217142

IUPAC4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline
SMILESCSc1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnn3)cc2n1
InChIInChI=1S/C19H15FN4S/c1-25-19-11-17(14-3-5-15(20)6-4-14)16-7-2-13(10-18(16)22-19)12-24-9-8-21-23-24/h2-11H,12H2,1H3
InChIKeyJKJCLRABJLWFID-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.40
Rot. Bonds4

About 4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline

4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline (PubChem CID 141217142) has the molecular formula C19H15FN4S and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline
PubChem CID141217142
Molecular FormulaC19H15FN4S
Molecular Weight350.42 g/mol
Exact Mass350.10
IUPAC Name4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline
SMILESCSc1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnn3)cc2n1
InChIInChI=1S/C19H15FN4S/c1-25-19-11-17(14-3-5-15(20)6-4-14)16-7-2-13(10-18(16)22-19)12-24-9-8-21-23-24/h2-11H,12H2,1H3
InChIKeyJKJCLRABJLWFID-UHFFFAOYSA-N
XLogP4.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Phenyl 4-(4-fluorophenyl)-5-pyridin-4-yltriazole-2-carbodithioate
CID 44290413
2-((4-Phenyl-1H-1,2,3-triazol-1-yl)methyl)quinoline
CID 56594561
3-Methylsulfanyl-1-phenyl-6-pyridin-4-ylindazole
CID 56680272
2-[1-(4-Fluorophenyl)triazol-4-yl]-3-methylquinoline
CID 71561162
3-Ethyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline
CID 71561163
2-[1-(4-Fluorophenyl)triazol-4-yl]-3-propylquinoline
CID 71561283
3-Butyl-2-[1-(4-fluorophenyl)triazol-4-yl]quinoline
CID 71561284
2-[1-(4-Fluorophenyl)triazol-4-yl]-3-pentylquinoline
CID 71561285
(2R)-1,1,1-trifluoro-2-[1-[[4-(4-fluorophenyl)-2-methylsulfonylquinolin-7-yl]methyl]triazol-4-yl]butan-2-ol
CID 156018370
3-[4-Phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline
CID 134843933
2-(4-Fluorophenyl)-4-(4-thiophen-3-ylphenyl)-1,5-naphthyridine
CID 176424474
4-[5-(4-methylphenyl)-2H-triazol-4-yl]quinoline
CID 177658313

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline?
The IUPAC name of 4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline (CID 141217142) is 4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline?
The canonical SMILES for 4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline is CSc1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnn3)cc2n1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline?
The InChIKey is JKJCLRABJLWFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4S/c1-25-19-11-17(14-3-5-15(20)6-4-14)16-7-2-13(10-18(16)22-19)12-24-9-8-21-23-24/h2-11H,12H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline?
4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline has a molecular weight of 350.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methylsulfanyl-7-(triazol-1-ylmethyl)quinoline is sourced from PubChem (CID 141217142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).