cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate

C23H29N5O2 — CID 663281

IUPACcyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate
SMILESCCN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1
InChIInChI=1S/C23H29N5O2/c1-2-27-12-14-28(15-13-27)22-21(25-19-10-6-7-11-20(19)26-22)18(16-24)23(29)30-17-8-4-3-5-9-17/h6-7,10-11,17-18H,2-5,8-9,12-15H2,1H3
InChIKeyKKTOITAISCXMHG-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.25
Rot. Bonds5

About cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate

cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate (PubChem CID 663281) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate.

Molecular Properties

Compound Namecyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate
PubChem CID663281
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Namecyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate
SMILESCCN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1
InChIInChI=1S/C23H29N5O2/c1-2-27-12-14-28(15-13-27)22-21(25-19-10-6-7-11-20(19)26-22)18(16-24)23(29)30-17-8-4-3-5-9-17/h6-7,10-11,17-18H,2-5,8-9,12-15H2,1H3
InChIKeyKKTOITAISCXMHG-UHFFFAOYSA-N
XLogP3.25
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate 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 cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate?
The IUPAC name of cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate (CID 663281) is cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate.
What is the SMILES notation for cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate?
The canonical SMILES for cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate is CCN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1.
What is the InChIKey of cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate?
The InChIKey is KKTOITAISCXMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-2-27-12-14-28(15-13-27)22-21(25-19-10-6-7-11-20(19)26-22)18(16-24)23(29)30-17-8-4-3-5-9-17/h6-7,10-11,17-18H,2-5,8-9,12-15H2,1H3.
What are the key properties of cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate?
cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate has a molecular weight of 407.52 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate is sourced from PubChem (CID 663281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).