7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline

C23H25Cl2N3O — CID 25186022

IUPAC7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
SMILESClc1cccc(N2CCN(CCCCOc3ccc4cccnc4c3)CC2)c1Cl
InChIInChI=1S/C23H25Cl2N3O/c24-20-6-3-7-22(23(20)25)28-14-12-27(13-15-28)11-1-2-16-29-19-9-8-18-5-4-10-26-21(18)17-19/h3-10,17H,1-2,11-16H2
InChIKeyFUOMYSOASQSWCG-UHFFFAOYSA-N
MW430.38 g/mol
LogP5.52
Rot. Bonds7

About 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline

7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline (PubChem CID 25186022) has the molecular formula C23H25Cl2N3O and a molecular weight of 430.38 g/mol. Its IUPAC name is 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline.

Molecular Properties

Compound Name7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
PubChem CID25186022
Molecular FormulaC23H25Cl2N3O
Molecular Weight430.38 g/mol
Exact Mass429.14
IUPAC Name7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
SMILESClc1cccc(N2CCN(CCCCOc3ccc4cccnc4c3)CC2)c1Cl
InChIInChI=1S/C23H25Cl2N3O/c24-20-6-3-7-22(23(20)25)28-14-12-27(13-15-28)11-1-2-16-29-19-9-8-18-5-4-10-26-21(18)17-19/h3-10,17H,1-2,11-16H2
InChIKeyFUOMYSOASQSWCG-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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Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline?
The IUPAC name of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline (CID 25186022) is 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline.
What is the SMILES notation for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline?
The canonical SMILES for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline is Clc1cccc(N2CCN(CCCCOc3ccc4cccnc4c3)CC2)c1Cl.
What is the InChIKey of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline?
The InChIKey is FUOMYSOASQSWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O/c24-20-6-3-7-22(23(20)25)28-14-12-27(13-15-28)11-1-2-16-29-19-9-8-18-5-4-10-26-21(18)17-19/h3-10,17H,1-2,11-16H2.
What are the key properties of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline?
7-[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 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline is sourced from PubChem (CID 25186022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).