ethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate

C15H12F3N3O4 — CID 67756599

IUPACethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate
SMILESCCOC(=O)Oc1cn2c(n1)c(=O)n(C)c1cc(C(F)(F)F)ccc12
InChIInChI=1S/C15H12F3N3O4/c1-3-24-14(23)25-11-7-21-9-5-4-8(15(16,17)18)6-10(9)20(2)13(22)12(21)19-11/h4-7H,3H2,1-2H3
InChIKeyYJEGQDSTIFZLBU-UHFFFAOYSA-N
MW355.27 g/mol
LogP2.74
Rot. Bonds2

About ethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate

ethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate (PubChem CID 67756599) has the molecular formula C15H12F3N3O4 and a molecular weight of 355.27 g/mol. Its IUPAC name is ethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate.

Molecular Properties

Compound Nameethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate
PubChem CID67756599
Molecular FormulaC15H12F3N3O4
Molecular Weight355.27 g/mol
Exact Mass355.08
IUPAC Nameethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate
SMILESCCOC(=O)Oc1cn2c(n1)c(=O)n(C)c1cc(C(F)(F)F)ccc12
InChIInChI=1S/C15H12F3N3O4/c1-3-24-14(23)25-11-7-21-9-5-4-8(15(16,17)18)6-10(9)20(2)13(22)12(21)19-11/h4-7H,3H2,1-2H3
InChIKeyYJEGQDSTIFZLBU-UHFFFAOYSA-N
XLogP2.74
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate?
The IUPAC name of ethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate (CID 67756599) is ethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate.
What is the SMILES notation for ethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate?
The canonical SMILES for ethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate is CCOC(=O)Oc1cn2c(n1)c(=O)n(C)c1cc(C(F)(F)F)ccc12.
What is the InChIKey of ethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate?
The InChIKey is YJEGQDSTIFZLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O4/c1-3-24-14(23)25-11-7-21-9-5-4-8(15(16,17)18)6-10(9)20(2)13(22)12(21)19-11/h4-7H,3H2,1-2H3.
What are the key properties of ethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate?
ethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate has a molecular weight of 355.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [5-methyl-4-oxo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-2-yl] carbonate is sourced from PubChem (CID 67756599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).