ethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate

C18H15ClN4O2 — CID 118721208

IUPACethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
SMILESCCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(Cl)ccc21
InChIInChI=1S/C18H15ClN4O2/c1-2-25-18(24)22-11-16-20-17(12-6-4-3-5-7-12)21-23(16)15-10-13(19)8-9-14(15)22/h3-10H,2,11H2,1H3
InChIKeyJGBSWQBWUVGILS-UHFFFAOYSA-N
MW354.80 g/mol
LogP4.06
Rot. Bonds2

About ethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate

ethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate (PubChem CID 118721208) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is ethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
PubChem CID118721208
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Nameethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
SMILESCCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(Cl)ccc21
InChIInChI=1S/C18H15ClN4O2/c1-2-25-18(24)22-11-16-20-17(12-6-4-3-5-7-12)21-23(16)15-10-13(19)8-9-14(15)22/h3-10H,2,11H2,1H3
InChIKeyJGBSWQBWUVGILS-UHFFFAOYSA-N
XLogP4.06
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
The IUPAC name of ethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate (CID 118721208) is ethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate.
What is the SMILES notation for ethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
The canonical SMILES for ethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate is CCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(Cl)ccc21.
What is the InChIKey of ethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
The InChIKey is JGBSWQBWUVGILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-2-25-18(24)22-11-16-20-17(12-6-4-3-5-7-12)21-23(16)15-10-13(19)8-9-14(15)22/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
ethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate has a molecular weight of 354.80 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate is sourced from PubChem (CID 118721208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).