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

C14H10ClN7O3 — CID 10570475

IUPACethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cnnc4)cc3n2n1
InChIInChI=1S/C14H10ClN7O3/c1-2-25-14(24)11-19-12-13(23)18-8-3-7(15)9(21-5-16-17-6-21)4-10(8)22(12)20-11/h3-6H,2H2,1H3,(H,18,23)
InChIKeyNQHPVDWMKDTWRF-UHFFFAOYSA-N
MW359.73 g/mol
LogP0.98
Rot. Bonds3

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

ethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (PubChem CID 10570475) has the molecular formula C14H10ClN7O3 and a molecular weight of 359.73 g/mol. Its IUPAC name is ethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
PubChem CID10570475
Molecular FormulaC14H10ClN7O3
Molecular Weight359.73 g/mol
Exact Mass359.05
IUPAC Nameethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cnnc4)cc3n2n1
InChIInChI=1S/C14H10ClN7O3/c1-2-25-14(24)11-19-12-13(23)18-8-3-7(15)9(21-5-16-17-6-21)4-10(8)22(12)20-11/h3-6H,2H2,1H3,(H,18,23)
InChIKeyNQHPVDWMKDTWRF-UHFFFAOYSA-N
XLogP0.98
TPSA120.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.73
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

ethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 11001900
ethyl 2,4-dichloro-5-(1,2,4-triazol-4-yl)benzoate
CID 56737256
ethyl 7-chloro-6-[4-(hydroxymethyl)imidazol-1-yl]-2-oxo-1H-quinoline-3-carboxylate
CID 18536749
ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
CID 23206416
ethyl 4-methyl-3,5-bis(1,2,4-triazol-4-yl)benzoate
CID 56737296
ethyl 5-chloro-1-(2,4-dichlorophenyl)-1,2,4-triazole-3-carboxylate
CID 121346461
ethyl 1-methyl-4-oxo-8-(1,2,4-triazol-1-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
CID 23295848
(2-ethoxycarbonyl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid
CID 171855297
[8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-2-yl] ethyl carbonate
CID 23206487
ethyl 4-bromo-3-(1,2,4-triazol-4-yl)benzoate
CID 56737246
ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate
CID 23206474
ethyl 4-methoxy-3-(1,2,4-triazol-4-yl)benzoate
CID 56737237

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The IUPAC name of 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) is ethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is CCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cnnc4)cc3n2n1.
What is the InChIKey of ethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The InChIKey is NQHPVDWMKDTWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN7O3/c1-2-25-14(24)11-19-12-13(23)18-8-3-7(15)9(21-5-16-17-6-21)4-10(8)22(12)20-11/h3-6H,2H2,1H3,(H,18,23).
What are the key properties of ethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
ethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate has a molecular weight of 359.73 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is sourced from PubChem (CID 10570475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).