[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate

C14H11F3N4O4 — CID 27951027

IUPAC[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate
SMILESO=C(COC(=O)c1cnc2ccccc2n1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C14H11F3N4O4/c15-14(16,17)7-19-13(24)21-11(22)6-25-12(23)10-5-18-8-3-1-2-4-9(8)20-10/h1-5H,6-7H2,(H2,19,21,22,24)
InChIKeyKMGWJNMPDIEZEH-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.17
Rot. Bonds4

About [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate (PubChem CID 27951027) has the molecular formula C14H11F3N4O4 and a molecular weight of 356.26 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate
PubChem CID27951027
Molecular FormulaC14H11F3N4O4
Molecular Weight356.26 g/mol
Exact Mass356.07
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate
SMILESO=C(COC(=O)c1cnc2ccccc2n1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C14H11F3N4O4/c15-14(16,17)7-19-13(24)21-11(22)6-25-12(23)10-5-18-8-3-1-2-4-9(8)20-10/h1-5H,6-7H2,(H2,19,21,22,24)
InChIKeyKMGWJNMPDIEZEH-UHFFFAOYSA-N
XLogP1.17
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate (CID 27951027) is [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate is O=C(COC(=O)c1cnc2ccccc2n1)NC(=O)NCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate?
The InChIKey is KMGWJNMPDIEZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O4/c15-14(16,17)7-19-13(24)21-11(22)6-25-12(23)10-5-18-8-3-1-2-4-9(8)20-10/h1-5H,6-7H2,(H2,19,21,22,24).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate?
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate has a molecular weight of 356.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] quinoxaline-2-carboxylate is sourced from PubChem (CID 27951027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).