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

C24H24FN3O — CID 11234657

IUPAC8-[4-[2-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-6-fluoroquinoline
SMILESCC(CN1CCN(c2cc(F)cc3cccnc23)CC1)c1coc2ccccc12
InChIInChI=1S/C24H24FN3O/c1-17(21-16-29-23-7-3-2-6-20(21)23)15-27-9-11-28(12-10-27)22-14-19(25)13-18-5-4-8-26-24(18)22/h2-8,13-14,16-17H,9-12,15H2,1H3
InChIKeyDRXBMFWTXLNGQH-UHFFFAOYSA-N
MW389.47 g/mol
LogP5.05
Rot. Bonds4

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

8-[4-[2-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-6-fluoroquinoline (PubChem CID 11234657) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 8-[4-[2-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-6-fluoroquinoline.

Molecular Properties

Compound Name8-[4-[2-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-6-fluoroquinoline
PubChem CID11234657
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name8-[4-[2-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-6-fluoroquinoline
SMILESCC(CN1CCN(c2cc(F)cc3cccnc23)CC1)c1coc2ccccc12
InChIInChI=1S/C24H24FN3O/c1-17(21-16-29-23-7-3-2-6-20(21)23)15-27-9-11-28(12-10-27)22-14-19(25)13-18-5-4-8-26-24(18)22/h2-8,13-14,16-17H,9-12,15H2,1H3
InChIKeyDRXBMFWTXLNGQH-UHFFFAOYSA-N
XLogP5.05
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[4-[2-(1-benzofuran-3-yl)propyl]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

Related Compounds

(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
(2-Methoxyphenyl)[1-(5-quinoxalinylmethyl)-3-piperidinyl]methanone
CID 16189897
3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11164277
5-fluoro-3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11188108
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-5-fluoro-1H-indole
CID 11245340
8-{4-[2-(1-Benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline
CID 11383270
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11416598
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-6-fluoro-1H-indole
CID 11428376
1-[4-(4-Cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole
CID 56640866
1-[4-[4-(4-Fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole
CID 56640868
(4-Methoxy-3,5-dimethylphenyl)[1-(5-quinoxalinylmethyl)-3-piperidinyl]methanone
CID 16191484
11-Methylfuro[3,2-c][1,10]phenanthroline
CID 44587501

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-6-fluoroquinoline?
The IUPAC name of 8-[4-[2-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-6-fluoroquinoline (CID 11234657) is 8-[4-[2-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-6-fluoroquinoline.
What is the SMILES notation for 8-[4-[2-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-6-fluoroquinoline?
The canonical SMILES for 8-[4-[2-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-6-fluoroquinoline is CC(CN1CCN(c2cc(F)cc3cccnc23)CC1)c1coc2ccccc12.
What is the InChIKey of 8-[4-[2-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-6-fluoroquinoline?
The InChIKey is DRXBMFWTXLNGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-17(21-16-29-23-7-3-2-6-20(21)23)15-27-9-11-28(12-10-27)22-14-19(25)13-18-5-4-8-26-24(18)22/h2-8,13-14,16-17H,9-12,15H2,1H3.
What are the key properties of 8-[4-[2-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-6-fluoroquinoline?
8-[4-[2-(1-benzofuran-3-yl)propyl]piperazin-1-yl]-6-fluoroquinoline has a molecular weight of 389.47 g/mol, XLogP of 5.05, 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)propyl]piperazin-1-yl]-6-fluoroquinoline is sourced from PubChem (CID 11234657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).