3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile

C15H17N5 — CID 10107032

IUPAC3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile
SMILESCCN1CCN(c2nc3ccccc3nc2C#N)CC1
InChIInChI=1S/C15H17N5/c1-2-19-7-9-20(10-8-19)15-14(11-16)17-12-5-3-4-6-13(12)18-15/h3-6H,2,7-10H2,1H3
InChIKeyJZAQWBVIDDUCQL-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.64
Rot. Bonds2

About 3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile

3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile (PubChem CID 10107032) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile
PubChem CID10107032
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile
SMILESCCN1CCN(c2nc3ccccc3nc2C#N)CC1
InChIInChI=1S/C15H17N5/c1-2-19-7-9-20(10-8-19)15-14(11-16)17-12-5-3-4-6-13(12)18-15/h3-6H,2,7-10H2,1H3
InChIKeyJZAQWBVIDDUCQL-UHFFFAOYSA-N
XLogP1.64
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-Methylquipazine
CID 5013
2-Quinoxalinecarbonitrile, 3-(4-(2-propenyl)-1-piperazinyl)-
CID 3073499
Quinoxaline-2,3-diamine
CID 241488
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
6,11-Dihydroquinoxalino[2,3-b]quinoxaline
CID 616479
2-Methyl-3-(pyrrolidin-1-yl)quinoxaline
CID 238490
Vuf-10148
CID 24759623
4-(4-Methyl-piperazin-1-yl)-pyrrolo[1,2-a]quinoline
CID 10378253
2-Chloro-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24278976
2-Methoxy-3-(4-methylpiperazin-1-yl)quinoxaline
CID 8070960
3-Piperazin-1-yl-quinoxaline-2-carbonitrile
CID 9837630
2,3-Quinoxalinediamine, N,N'-diphenyl-
CID 467789

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile (CID 10107032) is 3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile is CCN1CCN(c2nc3ccccc3nc2C#N)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile?
The InChIKey is JZAQWBVIDDUCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-19-7-9-20(10-8-19)15-14(11-16)17-12-5-3-4-6-13(12)18-15/h3-6H,2,7-10H2,1H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile?
3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)quinoxaline-2-carbonitrile is sourced from PubChem (CID 10107032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).