8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline

C20H20FN3O2S — CID 24733626

IUPAC8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline
SMILESCS(=O)(=O)N1CCN(c2ccc3cccc(-c4ccccc4F)c3n2)CC1
InChIInChI=1S/C20H20FN3O2S/c1-27(25,26)24-13-11-23(12-14-24)19-10-9-15-5-4-7-17(20(15)22-19)16-6-2-3-8-18(16)21/h2-10H,11-14H2,1H3
InChIKeyLJSOMVUHPUMYCA-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.12
Rot. Bonds3

About 8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline

8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline (PubChem CID 24733626) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline
PubChem CID24733626
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline
SMILESCS(=O)(=O)N1CCN(c2ccc3cccc(-c4ccccc4F)c3n2)CC1
InChIInChI=1S/C20H20FN3O2S/c1-27(25,26)24-13-11-23(12-14-24)19-10-9-15-5-4-7-17(20(15)22-19)16-6-2-3-8-18(16)21/h2-10H,11-14H2,1H3
InChIKeyLJSOMVUHPUMYCA-UHFFFAOYSA-N
XLogP3.12
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline?
The IUPAC name of 8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline (CID 24733626) is 8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline.
What is the SMILES notation for 8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline?
The canonical SMILES for 8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline is CS(=O)(=O)N1CCN(c2ccc3cccc(-c4ccccc4F)c3n2)CC1.
What is the InChIKey of 8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline?
The InChIKey is LJSOMVUHPUMYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-27(25,26)24-13-11-23(12-14-24)19-10-9-15-5-4-7-17(20(15)22-19)16-6-2-3-8-18(16)21/h2-10H,11-14H2,1H3.
What are the key properties of 8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline?
8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline has a molecular weight of 385.46 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline is sourced from PubChem (CID 24733626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).