4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline

C20H19Cl2N3 — CID 4209519

IUPAC4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline
SMILESClc1ccc(C(c2ccnc3ccccc23)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C20H19Cl2N3/c21-14-5-6-17(18(22)13-14)20(25-11-9-23-10-12-25)16-7-8-24-19-4-2-1-3-15(16)19/h1-8,13,20,23H,9-12H2
InChIKeyVIAMKTIHMUAQOW-UHFFFAOYSA-N
MW372.30 g/mol
LogP4.54
Rot. Bonds3

About 4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline

4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline (PubChem CID 4209519) has the molecular formula C20H19Cl2N3 and a molecular weight of 372.30 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline
PubChem CID4209519
Molecular FormulaC20H19Cl2N3
Molecular Weight372.30 g/mol
Exact Mass371.10
IUPAC Name4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline
SMILESClc1ccc(C(c2ccnc3ccccc23)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C20H19Cl2N3/c21-14-5-6-17(18(22)13-14)20(25-11-9-23-10-12-25)16-7-8-24-19-4-2-1-3-15(16)19/h1-8,13,20,23H,9-12H2
InChIKeyVIAMKTIHMUAQOW-UHFFFAOYSA-N
XLogP4.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(2,4-dichlorophenyl)methyl]piperazine
CID 3373425
4-[phenyl(piperazin-1-yl)methyl]quinoline
CID 3561540
1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine
CID 3272834
1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine
CID 3541146
4-(1-piperazin-1-ylethyl)quinoline
CID 3377936
4-[1,4-diazepan-1-yl-(2,3-dimethoxyphenyl)methyl]quinoline
CID 3750378
4-[1,4-diazepan-1-yl-(3-methylphenyl)methyl]quinoline
CID 5130113
1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3766292
4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline
CID 171284620
1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4594125
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline
CID 171304964
1-[(2,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 4584564

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline?
The IUPAC name of 4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline (CID 4209519) is 4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline?
The canonical SMILES for 4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline is Clc1ccc(C(c2ccnc3ccccc23)N2CCNCC2)c(Cl)c1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline?
The InChIKey is VIAMKTIHMUAQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3/c21-14-5-6-17(18(22)13-14)20(25-11-9-23-10-12-25)16-7-8-24-19-4-2-1-3-15(16)19/h1-8,13,20,23H,9-12H2.
What are the key properties of 4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline?
4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline has a molecular weight of 372.30 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline is sourced from PubChem (CID 4209519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).