8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline

C23H25Cl2N3O — CID 50943740

IUPAC8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
SMILESClc1cccc(N2CCN(CCCCOc3cccc4cccnc34)CC2)c1Cl
InChIInChI=1S/C23H25Cl2N3O/c24-19-8-4-9-20(22(19)25)28-15-13-27(14-16-28)12-1-2-17-29-21-10-3-6-18-7-5-11-26-23(18)21/h3-11H,1-2,12-17H2
InChIKeyTZDZDIJCCWULAF-UHFFFAOYSA-N
MW430.38 g/mol
LogP5.52
Rot. Bonds7

About 8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline

8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline (PubChem CID 50943740) has the molecular formula C23H25Cl2N3O and a molecular weight of 430.38 g/mol. Its IUPAC name is 8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline.

Molecular Properties

Compound Name8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
PubChem CID50943740
Molecular FormulaC23H25Cl2N3O
Molecular Weight430.38 g/mol
Exact Mass429.14
IUPAC Name8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
SMILESClc1cccc(N2CCN(CCCCOc3cccc4cccnc34)CC2)c1Cl
InChIInChI=1S/C23H25Cl2N3O/c24-19-8-4-9-20(22(19)25)28-15-13-27(14-16-28)12-1-2-17-29-21-10-3-6-18-7-5-11-26-23(18)21/h3-11H,1-2,12-17H2
InChIKeyTZDZDIJCCWULAF-UHFFFAOYSA-N
XLogP5.52
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine
CID 142689415
8-(4-pentylpiperazin-1-yl)quinoline
CID 20649338
8-[2-(4-methylpiperazin-1-yl)ethoxy]quinoline
CID 24849053
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol
CID 11350302
8-[2-(2,6-dichlorophenoxy)ethoxy]quinoline
CID 2283916
1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine
CID 146025635
8-(2-piperazin-1-ylethoxy)quinoline
CID 24849055
[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-2-yl]methanol
CID 90644227
6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine
CID 142681677
8-(6-chlorohexoxy)quinoline
CID 62228191

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline?
The IUPAC name of 8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline (CID 50943740) is 8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline.
What is the SMILES notation for 8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline?
The canonical SMILES for 8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline is Clc1cccc(N2CCN(CCCCOc3cccc4cccnc34)CC2)c1Cl.
What is the InChIKey of 8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline?
The InChIKey is TZDZDIJCCWULAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O/c24-19-8-4-9-20(22(19)25)28-15-13-27(14-16-28)12-1-2-17-29-21-10-3-6-18-7-5-11-26-23(18)21/h3-11H,1-2,12-17H2.
What are the key properties of 8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline?
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline has a molecular weight of 430.38 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline is sourced from PubChem (CID 50943740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).