8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline

C23H22FN3O — CID 11153056

IUPAC8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline
SMILESFc1ccc2occ(CCN3CCN(c4cccc5cccnc45)CC3)c2c1
InChIInChI=1S/C23H22FN3O/c24-19-6-7-22-20(15-19)18(16-28-22)8-10-26-11-13-27(14-12-26)21-5-1-3-17-4-2-9-25-23(17)21/h1-7,9,15-16H,8,10-14H2
InChIKeyCZLQJYARGOMKPT-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.48
Rot. Bonds4

About 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline

8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline (PubChem CID 11153056) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline
PubChem CID11153056
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline
SMILESFc1ccc2occ(CCN3CCN(c4cccc5cccnc45)CC3)c2c1
InChIInChI=1S/C23H22FN3O/c24-19-6-7-22-20(15-19)18(16-28-22)8-10-26-11-13-27(14-12-26)21-5-1-3-17-4-2-9-25-23(17)21/h1-7,9,15-16H,8,10-14H2
InChIKeyCZLQJYARGOMKPT-UHFFFAOYSA-N
XLogP4.48
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline?
The IUPAC name of 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline (CID 11153056) is 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline?
The canonical SMILES for 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline is Fc1ccc2occ(CCN3CCN(c4cccc5cccnc45)CC3)c2c1.
What is the InChIKey of 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline?
The InChIKey is CZLQJYARGOMKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-19-6-7-22-20(15-19)18(16-28-22)8-10-26-11-13-27(14-12-26)21-5-1-3-17-4-2-9-25-23(17)21/h1-7,9,15-16H,8,10-14H2.
What are the key properties of 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline?
8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline has a molecular weight of 375.45 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 11153056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).