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

C23H21F2N3O — CID 11223112

IUPAC6-fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline
SMILESFc1cc(N2CCN(CCc3coc4ccc(F)cc34)CC2)c2ncccc2c1
InChIInChI=1S/C23H21F2N3O/c24-18-3-4-22-20(13-18)17(15-29-22)5-7-27-8-10-28(11-9-27)21-14-19(25)12-16-2-1-6-26-23(16)21/h1-4,6,12-15H,5,7-11H2
InChIKeyFSFMYGLYJBGYDF-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.62
Rot. Bonds4

About 6-fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline

6-fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline (PubChem CID 11223112) has the molecular formula C23H21F2N3O and a molecular weight of 393.44 g/mol. Its IUPAC name is 6-fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name6-fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline
PubChem CID11223112
Molecular FormulaC23H21F2N3O
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name6-fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline
SMILESFc1cc(N2CCN(CCc3coc4ccc(F)cc34)CC2)c2ncccc2c1
InChIInChI=1S/C23H21F2N3O/c24-18-3-4-22-20(13-18)17(15-29-22)5-7-27-8-10-28(11-9-27)21-14-19(25)12-16-2-1-6-26-23(16)21/h1-4,6,12-15H,5,7-11H2
InChIKeyFSFMYGLYJBGYDF-UHFFFAOYSA-N
XLogP4.62
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline?
The IUPAC name of 6-fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline (CID 11223112) is 6-fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 6-fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline?
The canonical SMILES for 6-fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline is Fc1cc(N2CCN(CCc3coc4ccc(F)cc34)CC2)c2ncccc2c1.
What is the InChIKey of 6-fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline?
The InChIKey is FSFMYGLYJBGYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O/c24-18-3-4-22-20(13-18)17(15-29-22)5-7-27-8-10-28(11-9-27)21-14-19(25)12-16-2-1-6-26-23(16)21/h1-4,6,12-15H,5,7-11H2.
What are the key properties of 6-fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline?
6-fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline has a molecular weight of 393.44 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 11223112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).