ethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate

C18H12N4O2 — CID 14469292

IUPACethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1ccc2c(C#N)c3nc4ccccc4nc3n2c1
InChIInChI=1S/C18H12N4O2/c1-2-24-18(23)11-7-8-15-12(9-19)16-17(22(15)10-11)21-14-6-4-3-5-13(14)20-16/h3-8,10H,2H2,1H3
InChIKeyITNWRNNSZITVFG-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.08
Rot. Bonds2

About ethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate

ethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate (PubChem CID 14469292) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is ethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate
PubChem CID14469292
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Nameethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1ccc2c(C#N)c3nc4ccccc4nc3n2c1
InChIInChI=1S/C18H12N4O2/c1-2-24-18(23)11-7-8-15-12(9-19)16-17(22(15)10-11)21-14-6-4-3-5-13(14)20-16/h3-8,10H,2H2,1H3
InChIKeyITNWRNNSZITVFG-UHFFFAOYSA-N
XLogP3.08
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate (CID 14469292) is ethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate is CCOC(=O)c1ccc2c(C#N)c3nc4ccccc4nc3n2c1.
What is the InChIKey of ethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate?
The InChIKey is ITNWRNNSZITVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c1-2-24-18(23)11-7-8-15-12(9-19)16-17(22(15)10-11)21-14-6-4-3-5-13(14)20-16/h3-8,10H,2H2,1H3.
What are the key properties of ethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate?
ethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate has a molecular weight of 316.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 12-cyanoindolizino[2,3-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 14469292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).