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

C20H20FN3O2S — CID 10309460

IUPAC3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline
SMILESCC1CN(c2cccc3cc(S(=O)(=O)c4ccc(F)cc4)cnc23)CCN1
InChIInChI=1S/C20H20FN3O2S/c1-14-13-24(10-9-22-14)19-4-2-3-15-11-18(12-23-20(15)19)27(25,26)17-7-5-16(21)6-8-17/h2-8,11-12,14,22H,9-10,13H2,1H3
InChIKeyLSQJXKRVEQKCDC-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.00
Rot. Bonds3

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

3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline (PubChem CID 10309460) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline
PubChem CID10309460
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline
SMILESCC1CN(c2cccc3cc(S(=O)(=O)c4ccc(F)cc4)cnc23)CCN1
InChIInChI=1S/C20H20FN3O2S/c1-14-13-24(10-9-22-14)19-4-2-3-15-11-18(12-23-20(15)19)27(25,26)17-7-5-16(21)6-8-17/h2-8,11-12,14,22H,9-10,13H2,1H3
InChIKeyLSQJXKRVEQKCDC-UHFFFAOYSA-N
XLogP3.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline (CID 10309460) is 3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline is CC1CN(c2cccc3cc(S(=O)(=O)c4ccc(F)cc4)cnc23)CCN1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline?
The InChIKey is LSQJXKRVEQKCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-14-13-24(10-9-22-14)19-4-2-3-15-11-18(12-23-20(15)19)27(25,26)17-7-5-16(21)6-8-17/h2-8,11-12,14,22H,9-10,13H2,1H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline?
3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline has a molecular weight of 385.46 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-8-(3-methylpiperazin-1-yl)quinoline is sourced from PubChem (CID 10309460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).