3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile

C16H17N5 — CID 3073499

IUPAC3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile
SMILESC=CCN1CCN(c2nc3ccccc3nc2C#N)CC1
InChIInChI=1S/C16H17N5/c1-2-7-20-8-10-21(11-9-20)16-15(12-17)18-13-5-3-4-6-14(13)19-16/h2-6H,1,7-11H2
InChIKeyIDOXKFDPDOIUMG-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.81
Rot. Bonds3

About 3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile

3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile (PubChem CID 3073499) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile.

Molecular Properties

Compound Name3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile
PubChem CID3073499
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile
SMILESC=CCN1CCN(c2nc3ccccc3nc2C#N)CC1
InChIInChI=1S/C16H17N5/c1-2-7-20-8-10-21(11-9-20)16-15(12-17)18-13-5-3-4-6-14(13)19-16/h2-6H,1,7-11H2
InChIKeyIDOXKFDPDOIUMG-UHFFFAOYSA-N
XLogP1.81
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile?
The IUPAC name of 3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile (CID 3073499) is 3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile.
What is the SMILES notation for 3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile?
The canonical SMILES for 3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile is C=CCN1CCN(c2nc3ccccc3nc2C#N)CC1.
What is the InChIKey of 3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile?
The InChIKey is IDOXKFDPDOIUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-7-20-8-10-21(11-9-20)16-15(12-17)18-13-5-3-4-6-14(13)19-16/h2-6H,1,7-11H2.
What are the key properties of 3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile?
3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile has a molecular weight of 279.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-prop-2-enylpiperazin-1-yl)quinoxaline-2-carbonitrile is sourced from PubChem (CID 3073499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).