ethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate

C15H11ClN6O3 — CID 10642176

IUPACethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4ccnc4)cc3n2n1
InChIInChI=1S/C15H11ClN6O3/c1-2-25-15(24)12-19-13-14(23)18-9-5-8(16)10(21-4-3-17-7-21)6-11(9)22(13)20-12/h3-7H,2H2,1H3,(H,18,23)
InChIKeyRYKCWZCBSTWWEB-UHFFFAOYSA-N
MW358.75 g/mol
LogP1.59
Rot. Bonds3

About ethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate

ethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (PubChem CID 10642176) has the molecular formula C15H11ClN6O3 and a molecular weight of 358.75 g/mol. Its IUPAC name is ethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
PubChem CID10642176
Molecular FormulaC15H11ClN6O3
Molecular Weight358.75 g/mol
Exact Mass358.06
IUPAC Nameethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4ccnc4)cc3n2n1
InChIInChI=1S/C15H11ClN6O3/c1-2-25-15(24)12-19-13-14(23)18-9-5-8(16)10(21-4-3-17-7-21)6-11(9)22(13)20-12/h3-7H,2H2,1H3,(H,18,23)
InChIKeyRYKCWZCBSTWWEB-UHFFFAOYSA-N
XLogP1.59
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate with MolForge

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Related Compounds

Tqx-173
CID 9840540
7-chloro-8-(3-formylpyrrol-1-yl)-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10066934
7-Chloro-8-imidazol-1-yl-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10544449
ethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10570475
7-Chloro-4-oxo-8-pyrazol-1-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10903648
7-chloro-4-oxo-8-pyrrol-1-yl-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 11724145
7-chloro-4-oxo-9-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 25022523
2-(2-Carboxy-7-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxalin-8-yl)-1-formyl-2H-pyrazol-1-ium
CID 44353216
8-Amino-7-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 10804688
7-chloro-4-oxo-8-(1,2,4-triazol-1-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10871273
7-Chloro-4-oxo-8-pyrazol-1-yl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 10959302
ethyl 7-chloro-8-(3-formylpyrrol-1-yl)-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10992653

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The IUPAC name of ethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (CID 10642176) is ethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is CCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4ccnc4)cc3n2n1.
What is the InChIKey of ethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The InChIKey is RYKCWZCBSTWWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN6O3/c1-2-25-15(24)12-19-13-14(23)18-9-5-8(16)10(21-4-3-17-7-21)6-11(9)22(13)20-12/h3-7H,2H2,1H3,(H,18,23).
What are the key properties of ethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
ethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate has a molecular weight of 358.75 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-8-imidazol-1-yl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is sourced from PubChem (CID 10642176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).