4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline

C20H20FN3O2S — CID 71587769

IUPAC4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline
SMILESCN1CCN(c2cccc3c(S(=O)(=O)c4cccc(F)c4)ccnc23)CC1
InChIInChI=1S/C20H20FN3O2S/c1-23-10-12-24(13-11-23)18-7-3-6-17-19(8-9-22-20(17)18)27(25,26)16-5-2-4-15(21)14-16/h2-9,14H,10-13H2,1H3
InChIKeyXVIUHTAVQLTUGA-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.96
Rot. Bonds3

About 4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline

4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline (PubChem CID 71587769) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline
PubChem CID71587769
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline
SMILESCN1CCN(c2cccc3c(S(=O)(=O)c4cccc(F)c4)ccnc23)CC1
InChIInChI=1S/C20H20FN3O2S/c1-23-10-12-24(13-11-23)18-7-3-6-17-19(8-9-22-20(17)18)27(25,26)16-5-2-4-15(21)14-16/h2-9,14H,10-13H2,1H3
InChIKeyXVIUHTAVQLTUGA-UHFFFAOYSA-N
XLogP2.96
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline?
The IUPAC name of 4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline (CID 71587769) is 4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline.
What is the SMILES notation for 4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline?
The canonical SMILES for 4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline is CN1CCN(c2cccc3c(S(=O)(=O)c4cccc(F)c4)ccnc23)CC1.
What is the InChIKey of 4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline?
The InChIKey is XVIUHTAVQLTUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-23-10-12-24(13-11-23)18-7-3-6-17-19(8-9-22-20(17)18)27(25,26)16-5-2-4-15(21)14-16/h2-9,14H,10-13H2,1H3.
What are the key properties of 4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline?
4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline has a molecular weight of 385.46 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline is sourced from PubChem (CID 71587769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).