8-[4-[2-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline

C23H22FN3O — CID 11383270

IUPAC8-[4-[2-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline
SMILESFc1cc(N2CCN(CCc3coc4ccccc34)CC2)c2ncccc2c1
InChIInChI=1S/C23H22FN3O/c24-19-14-17-4-3-8-25-23(17)21(15-19)27-12-10-26(11-13-27)9-7-18-16-28-22-6-2-1-5-20(18)22/h1-6,8,14-16H,7,9-13H2
InChIKeyQPHHLNWGSNUFFC-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.48
Rot. Bonds4

About 8-[4-[2-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline

8-[4-[2-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline (PubChem CID 11383270) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 8-[4-[2-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline.

Molecular Properties

Compound Name8-[4-[2-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline
PubChem CID11383270
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name8-[4-[2-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline
SMILESFc1cc(N2CCN(CCc3coc4ccccc34)CC2)c2ncccc2c1
InChIInChI=1S/C23H22FN3O/c24-19-14-17-4-3-8-25-23(17)21(15-19)27-12-10-26(11-13-27)9-7-18-16-28-22-6-2-1-5-20(18)22/h1-6,8,14-16H,7,9-13H2
InChIKeyQPHHLNWGSNUFFC-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-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline?
The IUPAC name of 8-[4-[2-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline (CID 11383270) is 8-[4-[2-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline.
What is the SMILES notation for 8-[4-[2-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline?
The canonical SMILES for 8-[4-[2-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline is Fc1cc(N2CCN(CCc3coc4ccccc34)CC2)c2ncccc2c1.
What is the InChIKey of 8-[4-[2-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline?
The InChIKey is QPHHLNWGSNUFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-19-14-17-4-3-8-25-23(17)21(15-19)27-12-10-26(11-13-27)9-7-18-16-28-22-6-2-1-5-20(18)22/h1-6,8,14-16H,7,9-13H2.
What are the key properties of 8-[4-[2-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline?
8-[4-[2-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline 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-(1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-fluoroquinoline is sourced from PubChem (CID 11383270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).