2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline

C18H17ClN4 — CID 2764801

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline
SMILESClc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C18H17ClN4/c19-14-5-7-15(8-6-14)22-9-11-23(12-10-22)18-13-20-16-3-1-2-4-17(16)21-18/h1-8,13H,9-12H2
InChIKeyARLGKYKTCGLUHU-UHFFFAOYSA-N
MW324.82 g/mol
LogP3.61
Rot. Bonds2

About 2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline

2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline (PubChem CID 2764801) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline
PubChem CID2764801
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline
SMILESClc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C18H17ClN4/c19-14-5-7-15(8-6-14)22-9-11-23(12-10-22)18-13-20-16-3-1-2-4-17(16)21-18/h1-8,13H,9-12H2
InChIKeyARLGKYKTCGLUHU-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline (CID 2764801) is 2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline is Clc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline?
The InChIKey is ARLGKYKTCGLUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c19-14-5-7-15(8-6-14)22-9-11-23(12-10-22)18-13-20-16-3-1-2-4-17(16)21-18/h1-8,13H,9-12H2.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline?
2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline has a molecular weight of 324.82 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]quinoxaline is sourced from PubChem (CID 2764801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).