8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline

C19H18FN3O2S — CID 1158039

IUPAC8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H18FN3O2S/c20-16-6-8-17(9-7-16)22-11-13-23(14-12-22)26(24,25)18-5-1-3-15-4-2-10-21-19(15)18/h1-10H,11-14H2
InChIKeyGKNQZPYYWXKKRQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.88
Rot. Bonds3

About 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline

8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline (PubChem CID 1158039) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline
PubChem CID1158039
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H18FN3O2S/c20-16-6-8-17(9-7-16)22-11-13-23(14-12-22)26(24,25)18-5-1-3-15-4-2-10-21-19(15)18/h1-10H,11-14H2
InChIKeyGKNQZPYYWXKKRQ-UHFFFAOYSA-N
XLogP2.88
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline (CID 1158039) is 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline is O=S(=O)(c1cccc2cccnc12)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline?
The InChIKey is GKNQZPYYWXKKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-16-6-8-17(9-7-16)22-11-13-23(14-12-22)26(24,25)18-5-1-3-15-4-2-10-21-19(15)18/h1-10H,11-14H2.
What are the key properties of 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline?
8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline has a molecular weight of 371.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylquinoline is sourced from PubChem (CID 1158039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).