[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate

C16H16F3N3O4 — CID 8673815

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
SMILESCCn1c(=O)c(C)nc2cc(C(=O)OCC(=O)NCC(F)(F)F)ccc21
InChIInChI=1S/C16H16F3N3O4/c1-3-22-12-5-4-10(6-11(12)21-9(2)14(22)24)15(25)26-7-13(23)20-8-16(17,18)19/h4-6H,3,7-8H2,1-2H3,(H,20,23)
InChIKeyJDEQPKWUOILCFH-UHFFFAOYSA-N
MW371.32 g/mol
LogP1.56
Rot. Bonds5

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate (PubChem CID 8673815) has the molecular formula C16H16F3N3O4 and a molecular weight of 371.32 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
PubChem CID8673815
Molecular FormulaC16H16F3N3O4
Molecular Weight371.32 g/mol
Exact Mass371.11
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
SMILESCCn1c(=O)c(C)nc2cc(C(=O)OCC(=O)NCC(F)(F)F)ccc21
InChIInChI=1S/C16H16F3N3O4/c1-3-22-12-5-4-10(6-11(12)21-9(2)14(22)24)15(25)26-7-13(23)20-8-16(17,18)19/h4-6H,3,7-8H2,1-2H3,(H,20,23)
InChIKeyJDEQPKWUOILCFH-UHFFFAOYSA-N
XLogP1.56
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate with MolForge

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519039
(3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990724
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7991058
[2-(naphthalen-2-ylamino)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7518959
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
[2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7991043
[2-(4-methylsulfanylphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 32932722
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519009
2-(4-methylphenoxy)ethyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519097
2-(4-methoxyphenoxy)ethyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990928
(2-fluorophenyl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990718
[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 32932060

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate (CID 8673815) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate is CCn1c(=O)c(C)nc2cc(C(=O)OCC(=O)NCC(F)(F)F)ccc21.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The InChIKey is JDEQPKWUOILCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O4/c1-3-22-12-5-4-10(6-11(12)21-9(2)14(22)24)15(25)26-7-13(23)20-8-16(17,18)19/h4-6H,3,7-8H2,1-2H3,(H,20,23).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate has a molecular weight of 371.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate is sourced from PubChem (CID 8673815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).