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

C15H13F3N4O3 — CID 15817044

IUPACethyl 8-amino-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(N)cc3n2c1C
InChIInChI=1S/C15H13F3N4O3/c1-3-25-14(24)11-6(2)22-10-5-8(19)7(15(16,17)18)4-9(10)20-13(23)12(22)21-11/h4-5H,3,19H2,1-2H3,(H,20,23)
InChIKeyFMNXICMOKYSKBW-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.26
Rot. Bonds2

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

ethyl 8-amino-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate (PubChem CID 15817044) has the molecular formula C15H13F3N4O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is ethyl 8-amino-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
PubChem CID15817044
Molecular FormulaC15H13F3N4O3
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC Nameethyl 8-amino-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(N)cc3n2c1C
InChIInChI=1S/C15H13F3N4O3/c1-3-25-14(24)11-6(2)22-10-5-8(19)7(15(16,17)18)4-9(10)20-13(23)12(22)21-11/h4-5H,3,19H2,1-2H3,(H,20,23)
InChIKeyFMNXICMOKYSKBW-UHFFFAOYSA-N
XLogP2.26
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate?
The IUPAC name of ethyl 8-amino-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate (CID 15817044) is ethyl 8-amino-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 8-amino-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 8-amino-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(N)cc3n2c1C.
What is the InChIKey of ethyl 8-amino-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate?
The InChIKey is FMNXICMOKYSKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3/c1-3-25-14(24)11-6(2)22-10-5-8(19)7(15(16,17)18)4-9(10)20-13(23)12(22)21-11/h4-5H,3,19H2,1-2H3,(H,20,23).
What are the key properties of ethyl 8-amino-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate?
ethyl 8-amino-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate has a molecular weight of 354.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate is sourced from PubChem (CID 15817044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).