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

C19H15FN4O2S — CID 141217149

IUPAC4-(4-fluorophenyl)-2-methylsulfonyl-7-(triazol-1-ylmethyl)quinoline
SMILESCS(=O)(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnn3)cc2n1
InChIInChI=1S/C19H15FN4O2S/c1-27(25,26)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
InChIKeyVPQAHKJLYBCMJG-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.08
Rot. Bonds4

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

4-(4-fluorophenyl)-2-methylsulfonyl-7-(triazol-1-ylmethyl)quinoline (PubChem CID 141217149) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methylsulfonyl-7-(triazol-1-ylmethyl)quinoline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methylsulfonyl-7-(triazol-1-ylmethyl)quinoline
PubChem CID141217149
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name4-(4-fluorophenyl)-2-methylsulfonyl-7-(triazol-1-ylmethyl)quinoline
SMILESCS(=O)(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnn3)cc2n1
InChIInChI=1S/C19H15FN4O2S/c1-27(25,26)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
InChIKeyVPQAHKJLYBCMJG-UHFFFAOYSA-N
XLogP3.08
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methylsulfonyl-7-(triazol-1-ylmethyl)quinoline?
The IUPAC name of 4-(4-fluorophenyl)-2-methylsulfonyl-7-(triazol-1-ylmethyl)quinoline (CID 141217149) is 4-(4-fluorophenyl)-2-methylsulfonyl-7-(triazol-1-ylmethyl)quinoline.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methylsulfonyl-7-(triazol-1-ylmethyl)quinoline?
The canonical SMILES for 4-(4-fluorophenyl)-2-methylsulfonyl-7-(triazol-1-ylmethyl)quinoline is CS(=O)(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnn3)cc2n1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methylsulfonyl-7-(triazol-1-ylmethyl)quinoline?
The InChIKey is VPQAHKJLYBCMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-27(25,26)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-methylsulfonyl-7-(triazol-1-ylmethyl)quinoline?
4-(4-fluorophenyl)-2-methylsulfonyl-7-(triazol-1-ylmethyl)quinoline has a molecular weight of 382.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methylsulfonyl-7-(triazol-1-ylmethyl)quinoline is sourced from PubChem (CID 141217149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).