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

C27H28FN3O — CID 11258941

IUPAC8-[4-[4-(1-benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline
SMILESFc1cc(N2CCN(C3CCC(c4cc5ccccc5o4)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C27H28FN3O/c28-22-16-21-5-3-11-29-27(21)24(18-22)31-14-12-30(13-15-31)23-9-7-19(8-10-23)26-17-20-4-1-2-6-25(20)32-26/h1-6,11,16-19,23H,7-10,12-15H2
InChIKeyJFYYLWDUPATJPZ-UHFFFAOYSA-N
MW429.54 g/mol
LogP5.97
Rot. Bonds3

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

8-[4-[4-(1-benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline (PubChem CID 11258941) has the molecular formula C27H28FN3O and a molecular weight of 429.54 g/mol. Its IUPAC name is 8-[4-[4-(1-benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline.

Molecular Properties

Compound Name8-[4-[4-(1-benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline
PubChem CID11258941
Molecular FormulaC27H28FN3O
Molecular Weight429.54 g/mol
Exact Mass429.22
IUPAC Name8-[4-[4-(1-benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline
SMILESFc1cc(N2CCN(C3CCC(c4cc5ccccc5o4)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C27H28FN3O/c28-22-16-21-5-3-11-29-27(21)24(18-22)31-14-12-30(13-15-31)23-9-7-19(8-10-23)26-17-20-4-1-2-6-25(20)32-26/h1-6,11,16-19,23H,7-10,12-15H2
InChIKeyJFYYLWDUPATJPZ-UHFFFAOYSA-N
XLogP5.97
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 ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[4-[4-(1-benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(1-benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline?
The IUPAC name of 8-[4-[4-(1-benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline (CID 11258941) is 8-[4-[4-(1-benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline.
What is the SMILES notation for 8-[4-[4-(1-benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline?
The canonical SMILES for 8-[4-[4-(1-benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline is Fc1cc(N2CCN(C3CCC(c4cc5ccccc5o4)CC3)CC2)c2ncccc2c1.
What is the InChIKey of 8-[4-[4-(1-benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline?
The InChIKey is JFYYLWDUPATJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O/c28-22-16-21-5-3-11-29-27(21)24(18-22)31-14-12-30(13-15-31)23-9-7-19(8-10-23)26-17-20-4-1-2-6-25(20)32-26/h1-6,11,16-19,23H,7-10,12-15H2.
What are the key properties of 8-[4-[4-(1-benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline?
8-[4-[4-(1-benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline has a molecular weight of 429.54 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(1-benzofuran-2-yl)cyclohexyl]piperazin-1-yl]-6-fluoroquinoline is sourced from PubChem (CID 11258941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).