2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline

C18H16Cl2N4 — CID 3523251

IUPAC2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline
SMILESClc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)cc1Cl
InChIInChI=1S/C18H16Cl2N4/c19-14-6-5-13(11-15(14)20)23-7-9-24(10-8-23)18-12-21-16-3-1-2-4-17(16)22-18/h1-6,11-12H,7-10H2
InChIKeyLRWAUKRMZOSQHT-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.26
Rot. Bonds2

About 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline

2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline (PubChem CID 3523251) has the molecular formula C18H16Cl2N4 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline
PubChem CID3523251
Molecular FormulaC18H16Cl2N4
Molecular Weight359.26 g/mol
Exact Mass358.08
IUPAC Name2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline
SMILESClc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)cc1Cl
InChIInChI=1S/C18H16Cl2N4/c19-14-6-5-13(11-15(14)20)23-7-9-24(10-8-23)18-12-21-16-3-1-2-4-17(16)22-18/h1-6,11-12H,7-10H2
InChIKeyLRWAUKRMZOSQHT-UHFFFAOYSA-N
XLogP4.26
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazine-Pyridine Biheteroaryl 28
CID 5330364
5-[4-(3,4-Dichlorophenyl)piperazin-1-Yl]pyrimidine-2,4-Diamine
CID 122164615
4-(4-Benzylpiperazin-1-yl)-7-chloropyrrolo[1,2-a]quinoxaline
CID 10738329
N-(3,4-dichlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 1326396
Imidazo[1,2-a]pyridine,2-[[4-(3,4-dichlorophenyl)-1-piperazinyl]methyl]-
CID 11516033
2-[4-(4-Fluorophenyl)piperazin-1-yl]quinoxaline
CID 4219209
2-[4-(4-Chlorophenyl)piperazin-1-yl]quinoxaline
CID 2764801
2-(4-Phenyl-1-piperazinyl)quinoxaline
CID 3812356
7,8-Dichloropyrido[1,2-a]benzimidazole
CID 915136
4-(4-Benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline
CID 10619583
7-Chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
CID 10620679
2-(4-Methylpiperazin-1-yl)quinoxaline
CID 10656971

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline (CID 3523251) is 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline is Clc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)cc1Cl.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline?
The InChIKey is LRWAUKRMZOSQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4/c19-14-6-5-13(11-15(14)20)23-7-9-24(10-8-23)18-12-21-16-3-1-2-4-17(16)22-18/h1-6,11-12H,7-10H2.
What are the key properties of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline?
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline has a molecular weight of 359.26 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]quinoxaline is sourced from PubChem (CID 3523251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).