6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline

C16H15ClN6 — CID 171691657

IUPAC6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline
SMILESClc1ccc2nc(N3CCN(c4ncccn4)CC3)cnc2c1
InChIInChI=1S/C16H15ClN6/c17-12-2-3-13-14(10-12)20-11-15(21-13)22-6-8-23(9-7-22)16-18-4-1-5-19-16/h1-5,10-11H,6-9H2
InChIKeyFEPUAYOWQMTJDK-UHFFFAOYSA-N
MW326.79 g/mol
LogP2.40
Rot. Bonds2

About 6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline

6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline (PubChem CID 171691657) has the molecular formula C16H15ClN6 and a molecular weight of 326.79 g/mol. Its IUPAC name is 6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline
PubChem CID171691657
Molecular FormulaC16H15ClN6
Molecular Weight326.79 g/mol
Exact Mass326.10
IUPAC Name6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline
SMILESClc1ccc2nc(N3CCN(c4ncccn4)CC3)cnc2c1
InChIInChI=1S/C16H15ClN6/c17-12-2-3-13-14(10-12)20-11-15(21-13)22-6-8-23(9-7-22)16-18-4-1-5-19-16/h1-5,10-11H,6-9H2
InChIKeyFEPUAYOWQMTJDK-UHFFFAOYSA-N
XLogP2.40
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline?
The IUPAC name of 6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline (CID 171691657) is 6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline is Clc1ccc2nc(N3CCN(c4ncccn4)CC3)cnc2c1.
What is the InChIKey of 6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline?
The InChIKey is FEPUAYOWQMTJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6/c17-12-2-3-13-14(10-12)20-11-15(21-13)22-6-8-23(9-7-22)16-18-4-1-5-19-16/h1-5,10-11H,6-9H2.
What are the key properties of 6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline?
6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline has a molecular weight of 326.79 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 171691657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).