cyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate

C23H28N4O3 — CID 7183227

IUPACcyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate
SMILESC[C@@H]1CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OC2CCCCC2)C[C@H](C)O1
InChIInChI=1S/C23H28N4O3/c1-15-13-27(14-16(2)29-15)22-21(25-19-10-6-7-11-20(19)26-22)18(12-24)23(28)30-17-8-4-3-5-9-17/h6-7,10-11,15-18H,3-5,8-9,13-14H2,1-2H3/t15-,16+,18-/m1/s1
InChIKeyKHMOANOOPDOELL-SOLBZPMBSA-N
MW408.50 g/mol
LogP3.73
Rot. Bonds4

About cyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate

cyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate (PubChem CID 7183227) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is cyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate.

Molecular Properties

Compound Namecyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate
PubChem CID7183227
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Namecyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate
SMILESC[C@@H]1CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OC2CCCCC2)C[C@H](C)O1
InChIInChI=1S/C23H28N4O3/c1-15-13-27(14-16(2)29-15)22-21(25-19-10-6-7-11-20(19)26-22)18(12-24)23(28)30-17-8-4-3-5-9-17/h6-7,10-11,15-18H,3-5,8-9,13-14H2,1-2H3/t15-,16+,18-/m1/s1
InChIKeyKHMOANOOPDOELL-SOLBZPMBSA-N
XLogP3.73
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze cyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate;ethane
CID 142447194
cyclohexyl (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate
CID 7182385
prop-2-enyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate
CID 7408947
2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide
CID 4123187
(2S)-N-benzyl-2-cyano-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetamide
CID 7381848
(2S)-N-benzyl-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetamide
CID 7377779
propan-2-yl (2S)-2-cyano-2-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]quinoxalin-2-yl]acetate
CID 6583085
methyl (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate
CID 6578670
cyclohexylmethyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate
CID 135348643
benzyl (2R)-2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate
CID 7461002
(2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide
CID 7367775
2-ethylbutyl (2S)-2-cyano-2-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]quinoxalin-2-yl]acetate
CID 27792383

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate?
The IUPAC name of cyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate (CID 7183227) is cyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate.
What is the SMILES notation for cyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate?
The canonical SMILES for cyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate is C[C@@H]1CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OC2CCCCC2)C[C@H](C)O1.
What is the InChIKey of cyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate?
The InChIKey is KHMOANOOPDOELL-SOLBZPMBSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-13-27(14-16(2)29-15)22-21(25-19-10-6-7-11-20(19)26-22)18(12-24)23(28)30-17-8-4-3-5-9-17/h6-7,10-11,15-18H,3-5,8-9,13-14H2,1-2H3/t15-,16+,18-/m1/s1.
What are the key properties of cyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate?
cyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate has a molecular weight of 408.50 g/mol, XLogP of 3.73, 4 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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate is sourced from PubChem (CID 7183227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).