8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline

C25H26FN3S — CID 10895059

IUPAC8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline
SMILESFc1cccc2scc(CCCCN3CCN(c4cccc5cccnc45)CC3)c12
InChIInChI=1S/C25H26FN3S/c26-21-9-4-11-23-24(21)20(18-30-23)6-1-2-13-28-14-16-29(17-15-28)22-10-3-7-19-8-5-12-27-25(19)22/h3-5,7-12,18H,1-2,6,13-17H2
InChIKeyZOQYUIRXOPVXAR-UHFFFAOYSA-N
MW419.57 g/mol
LogP5.73
Rot. Bonds6

About 8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline

8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline (PubChem CID 10895059) has the molecular formula C25H26FN3S and a molecular weight of 419.57 g/mol. Its IUPAC name is 8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline
PubChem CID10895059
Molecular FormulaC25H26FN3S
Molecular Weight419.57 g/mol
Exact Mass419.18
IUPAC Name8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline
SMILESFc1cccc2scc(CCCCN3CCN(c4cccc5cccnc45)CC3)c12
InChIInChI=1S/C25H26FN3S/c26-21-9-4-11-23-24(21)20(18-30-23)6-1-2-13-28-14-16-29(17-15-28)22-10-3-7-19-8-5-12-27-25(19)22/h3-5,7-12,18H,1-2,6,13-17H2
InChIKeyZOQYUIRXOPVXAR-UHFFFAOYSA-N
XLogP5.73
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline with MolForge

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Related Compounds

8-(4-pentylpiperazin-1-yl)quinoline
CID 20649338
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol
CID 10298197
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine
CID 142681677
(2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079758
4-[4-[6-[4-(trifluoromethoxy)phenyl]hexyl]piperazin-1-yl]-1,3-benzothiazole
CID 174498413
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]quinoline
CID 122172695
3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 23176302
1-quinolin-8-ylpiperidin-4-amine
CID 81224219
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline?
The IUPAC name of 8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline (CID 10895059) is 8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline?
The canonical SMILES for 8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline is Fc1cccc2scc(CCCCN3CCN(c4cccc5cccnc45)CC3)c12.
What is the InChIKey of 8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline?
The InChIKey is ZOQYUIRXOPVXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3S/c26-21-9-4-11-23-24(21)20(18-30-23)6-1-2-13-28-14-16-29(17-15-28)22-10-3-7-19-8-5-12-27-25(19)22/h3-5,7-12,18H,1-2,6,13-17H2.
What are the key properties of 8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline?
8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline has a molecular weight of 419.57 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 10895059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).