8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline

C27H28FN3O — CID 68929651

IUPAC8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline
SMILESFc1ccc(N2CCN(C3(c4coc5ccccc45)CCCCC3)CC2)c2ncccc12
InChIInChI=1S/C27H28FN3O/c28-23-10-11-24(26-21(23)8-6-14-29-26)30-15-17-31(18-16-30)27(12-4-1-5-13-27)22-19-32-25-9-3-2-7-20(22)25/h2-3,6-11,14,19H,1,4-5,12-13,15-18H2
InChIKeyPWUCSNQRKAISQJ-UHFFFAOYSA-N
MW429.54 g/mol
LogP6.10
Rot. Bonds3

About 8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline

8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline (PubChem CID 68929651) has the molecular formula C27H28FN3O and a molecular weight of 429.54 g/mol. Its IUPAC name is 8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline.

Molecular Properties

Compound Name8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline
PubChem CID68929651
Molecular FormulaC27H28FN3O
Molecular Weight429.54 g/mol
Exact Mass429.22
IUPAC Name8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline
SMILESFc1ccc(N2CCN(C3(c4coc5ccccc45)CCCCC3)CC2)c2ncccc12
InChIInChI=1S/C27H28FN3O/c28-23-10-11-24(26-21(23)8-6-14-29-26)30-15-17-31(18-16-30)27(12-4-1-5-13-27)22-19-32-25-9-3-2-7-20(22)25/h2-3,6-11,14,19H,1,4-5,12-13,15-18H2
InChIKeyPWUCSNQRKAISQJ-UHFFFAOYSA-N
XLogP6.10
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline?
The IUPAC name of 8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline (CID 68929651) is 8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline.
What is the SMILES notation for 8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline?
The canonical SMILES for 8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline is Fc1ccc(N2CCN(C3(c4coc5ccccc45)CCCCC3)CC2)c2ncccc12.
What is the InChIKey of 8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline?
The InChIKey is PWUCSNQRKAISQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O/c28-23-10-11-24(26-21(23)8-6-14-29-26)30-15-17-31(18-16-30)27(12-4-1-5-13-27)22-19-32-25-9-3-2-7-20(22)25/h2-3,6-11,14,19H,1,4-5,12-13,15-18H2.
What are the key properties of 8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline?
8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline has a molecular weight of 429.54 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[1-(1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]-5-fluoroquinoline is sourced from PubChem (CID 68929651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).