2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline

C20H32N6+2 — CID 3478937

IUPAC2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline
SMILESCC[NH+]1CCN(c2nc3ccccc3nc2N2CC[NH+](CC)CC2)CC1
InChIInChI=1S/C20H30N6/c1-3-23-9-13-25(14-10-23)19-20(26-15-11-24(4-2)12-16-26)22-18-8-6-5-7-17(18)21-19/h5-8H,3-4,9-16H2,1-2H3/p+2
InChIKeyAUBGWPVZZMQJKL-UHFFFAOYSA-P
MW356.52 g/mol
LogP-0.92
Rot. Bonds4

About 2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline

2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline (PubChem CID 3478937) has the molecular formula C20H32N6+2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline
PubChem CID3478937
Molecular FormulaC20H32N6+2
Molecular Weight356.52 g/mol
Exact Mass356.27
IUPAC Name2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline
SMILESCC[NH+]1CCN(c2nc3ccccc3nc2N2CC[NH+](CC)CC2)CC1
InChIInChI=1S/C20H30N6/c1-3-23-9-13-25(14-10-23)19-20(26-15-11-24(4-2)12-16-26)22-18-8-6-5-7-17(18)21-19/h5-8H,3-4,9-16H2,1-2H3/p+2
InChIKeyAUBGWPVZZMQJKL-UHFFFAOYSA-P
XLogP-0.92
TPSA41.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 7392711
4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 4161037
5-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-1,3-oxazole-4-carbonitrile
CID 5163524
2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline
CID 71662745
3-(4-propylpiperidin-1-yl)quinoxalin-2-amine
CID 102986310
2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
CID 108776804
N,N-dimethyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidin-4-amine
CID 133381274
(2R)-1-[4-(3-morpholin-4-ylquinoxalin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486263
ethyl 3-[4-(2,4-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 50764980
1-(3-pyrrolidin-1-ylquinoxalin-2-yl)azetidine-3-carboxylic acid
CID 122064611
7-(4-bromophenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4081137
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline?
The IUPAC name of 2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline (CID 3478937) is 2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline.
What is the SMILES notation for 2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline?
The canonical SMILES for 2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline is CC[NH+]1CCN(c2nc3ccccc3nc2N2CC[NH+](CC)CC2)CC1.
What is the InChIKey of 2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline?
The InChIKey is AUBGWPVZZMQJKL-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H30N6/c1-3-23-9-13-25(14-10-23)19-20(26-15-11-24(4-2)12-16-26)22-18-8-6-5-7-17(18)21-19/h5-8H,3-4,9-16H2,1-2H3/p+2.
What are the key properties of 2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline?
2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline has a molecular weight of 356.52 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-ethylpiperazin-4-ium-1-yl)quinoxaline is sourced from PubChem (CID 3478937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).