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

C23H29N5O2 — CID 7182385

IUPACcyclohexyl (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate
SMILESCCN1CCN(c2nc3ccccc3nc2[C@@H](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/t18-/m1/s1
InChIKeyKKTOITAISCXMHG-GOSISDBHSA-N
MW407.52 g/mol
LogP3.25
Rot. Bonds5

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

cyclohexyl (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate (PubChem CID 7182385) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is cyclohexyl (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate.

Molecular Properties

Compound Namecyclohexyl (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate
PubChem CID7182385
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Namecyclohexyl (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate
SMILESCCN1CCN(c2nc3ccccc3nc2[C@@H](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/t18-/m1/s1
InChIKeyKKTOITAISCXMHG-GOSISDBHSA-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 (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate with MolForge

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Related Compounds

cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate;ethane
CID 142447194
cyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate
CID 7183227
2-methylbutyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate
CID 3792511
cyclohexylmethyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate
CID 135348643
cyclohexylmethyl 2-cyano-2-(3-piperazin-1-ylquinoxalin-2-yl)acetate
CID 135348554
benzyl (2R)-2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate
CID 7461002
heptyl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate
CID 3821473
hexyl (2R)-2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate
CID 2012274
2-ethylbutyl (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetate
CID 40894943
(2S)-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonylacetonitrile
CID 40852292
(2R)-2-cyano-N-cyclopropyl-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide
CID 931270
2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetamide
CID 4111700

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate?
The IUPAC name of cyclohexyl (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate (CID 7182385) is cyclohexyl (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate.
What is the SMILES notation for cyclohexyl (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate?
The canonical SMILES for cyclohexyl (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate is CCN1CCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OC2CCCCC2)CC1.
What is the InChIKey of cyclohexyl (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate?
The InChIKey is KKTOITAISCXMHG-GOSISDBHSA-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/t18-/m1/s1.
What are the key properties of cyclohexyl (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate?
cyclohexyl (2S)-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 (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate is sourced from PubChem (CID 7182385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).