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

C24H24FN3O2 — CID 11223456

IUPAC8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-methoxyquinoline
SMILESCOc1cc(N2CCN(CCc3coc4ccc(F)cc34)CC2)c2ncccc2c1
InChIInChI=1S/C24H24FN3O2/c1-29-20-13-17-3-2-7-26-24(17)22(15-20)28-11-9-27(10-12-28)8-6-18-16-30-23-5-4-19(25)14-21(18)23/h2-5,7,13-16H,6,8-12H2,1H3
InChIKeyQAPBWLVLRJHVPS-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.49
Rot. Bonds5

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

8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-methoxyquinoline (PubChem CID 11223456) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-methoxyquinoline.

Molecular Properties

Compound Name8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-methoxyquinoline
PubChem CID11223456
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-methoxyquinoline
SMILESCOc1cc(N2CCN(CCc3coc4ccc(F)cc34)CC2)c2ncccc2c1
InChIInChI=1S/C24H24FN3O2/c1-29-20-13-17-3-2-7-26-24(17)22(15-20)28-11-9-27(10-12-28)8-6-18-16-30-23-5-4-19(25)14-21(18)23/h2-5,7,13-16H,6,8-12H2,1H3
InChIKeyQAPBWLVLRJHVPS-UHFFFAOYSA-N
XLogP4.49
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-6-methoxyquinoline?
The IUPAC name of 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-methoxyquinoline (CID 11223456) is 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-methoxyquinoline.
What is the SMILES notation for 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-methoxyquinoline?
The canonical SMILES for 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-methoxyquinoline is COc1cc(N2CCN(CCc3coc4ccc(F)cc34)CC2)c2ncccc2c1.
What is the InChIKey of 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-methoxyquinoline?
The InChIKey is QAPBWLVLRJHVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-29-20-13-17-3-2-7-26-24(17)22(15-20)28-11-9-27(10-12-28)8-6-18-16-30-23-5-4-19(25)14-21(18)23/h2-5,7,13-16H,6,8-12H2,1H3.
What are the key properties of 8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-methoxyquinoline?
8-[4-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-methoxyquinoline has a molecular weight of 405.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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]-6-methoxyquinoline is sourced from PubChem (CID 11223456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).