2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline

C13H14Cl2N4 — CID 141114879

IUPAC2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3c(Cl)cccc3nc2Cl)CC1
InChIInChI=1S/C13H14Cl2N4/c1-18-5-7-19(8-6-18)13-12(15)16-10-4-2-3-9(14)11(10)17-13/h2-4H,5-8H2,1H3
InChIKeyXZQSSBTYWQVKKI-UHFFFAOYSA-N
MW297.19 g/mol
LogP2.69
Rot. Bonds1

About 2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline

2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 141114879) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID141114879
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC Name2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3c(Cl)cccc3nc2Cl)CC1
InChIInChI=1S/C13H14Cl2N4/c1-18-5-7-19(8-6-18)13-12(15)16-10-4-2-3-9(14)11(10)17-13/h2-4H,5-8H2,1H3
InChIKeyXZQSSBTYWQVKKI-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-bis(4-methylpiperazin-1-yl)quinoxalin-5-amine
CID 12676683
2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline
CID 86039288
1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 102750107
8-chloro-4-(4-methylpiperazin-1-yl)cinnoline
CID 20922963
2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline
CID 71662745
4-chloro-2-(4-methylpiperazin-1-yl)quinazoline
CID 14614944
2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline
CID 108773344
(1S)-1-[8-chloro-1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]ethanamine
CID 68747598
2-[8-chloro-1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]ethanamine
CID 123276257
8-chloro-3-methyl-2-piperazin-1-ylquinoline
CID 84638749
N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914114
[3,5-dichloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 102762367

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline (CID 141114879) is 2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline is CN1CCN(c2nc3c(Cl)cccc3nc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is XZQSSBTYWQVKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4/c1-18-5-7-19(8-6-18)13-12(15)16-10-4-2-3-9(14)11(10)17-13/h2-4H,5-8H2,1H3.
What are the key properties of 2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline?
2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 297.19 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 141114879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).