3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile

C15H16N6O2 — CID 15650631

IUPAC3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile
SMILESCCN1CCN(c2nc3ccc([N+](=O)[O-])cc3nc2C#N)CC1
InChIInChI=1S/C15H16N6O2/c1-2-19-5-7-20(8-6-19)15-14(10-16)17-13-9-11(21(22)23)3-4-12(13)18-15/h3-4,9H,2,5-8H2,1H3
InChIKeyCSDYJZCRYGFWFU-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.55
Rot. Bonds3

About 3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile

3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile (PubChem CID 15650631) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile
PubChem CID15650631
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile
SMILESCCN1CCN(c2nc3ccc([N+](=O)[O-])cc3nc2C#N)CC1
InChIInChI=1S/C15H16N6O2/c1-2-19-5-7-20(8-6-19)15-14(10-16)17-13-9-11(21(22)23)3-4-12(13)18-15/h3-4,9H,2,5-8H2,1H3
InChIKeyCSDYJZCRYGFWFU-UHFFFAOYSA-N
XLogP1.55
TPSA99.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile (CID 15650631) is 3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile is CCN1CCN(c2nc3ccc([N+](=O)[O-])cc3nc2C#N)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile?
The InChIKey is CSDYJZCRYGFWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-2-19-5-7-20(8-6-19)15-14(10-16)17-13-9-11(21(22)23)3-4-12(13)18-15/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile?
3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile has a molecular weight of 312.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-7-nitroquinoxaline-2-carbonitrile is sourced from PubChem (CID 15650631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).