ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate

C15H11ClF3N3O3 — CID 23206416

IUPACethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(Cl)cc3n2c1C
InChIInChI=1S/C15H11ClF3N3O3/c1-3-25-14(24)11-6(2)22-10-5-8(16)7(15(17,18)19)4-9(10)20-13(23)12(22)21-11/h4-5H,3H2,1-2H3,(H,20,23)
InChIKeyOTVAOPBBBSMGKG-UHFFFAOYSA-N
MW373.72 g/mol
LogP3.33
Rot. Bonds2

About ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate

ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate (PubChem CID 23206416) has the molecular formula C15H11ClF3N3O3 and a molecular weight of 373.72 g/mol. Its IUPAC name is ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
PubChem CID23206416
Molecular FormulaC15H11ClF3N3O3
Molecular Weight373.72 g/mol
Exact Mass373.04
IUPAC Nameethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(Cl)cc3n2c1C
InChIInChI=1S/C15H11ClF3N3O3/c1-3-25-14(24)11-6(2)22-10-5-8(16)7(15(17,18)19)4-9(10)20-13(23)12(22)21-11/h4-5H,3H2,1-2H3,(H,20,23)
InChIKeyOTVAOPBBBSMGKG-UHFFFAOYSA-N
XLogP3.33
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate?
The IUPAC name of ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate (CID 23206416) is ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate is CCOC(=O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(Cl)cc3n2c1C.
What is the InChIKey of ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate?
The InChIKey is OTVAOPBBBSMGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O3/c1-3-25-14(24)11-6(2)22-10-5-8(16)7(15(17,18)19)4-9(10)20-13(23)12(22)21-11/h4-5H,3H2,1-2H3,(H,20,23).
What are the key properties of ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate?
ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate has a molecular weight of 373.72 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate is sourced from PubChem (CID 23206416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).