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

C14H9ClF3N3O3 — CID 23206427

IUPAC8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
SMILESCCc1c(C(=O)O)nc2c(=O)[nH]c3cc(C(F)(F)F)c(Cl)cc3n12
InChIInChI=1S/C14H9ClF3N3O3/c1-2-8-10(13(23)24)20-11-12(22)19-7-3-5(14(16,17)18)6(15)4-9(7)21(8)11/h3-4H,2H2,1H3,(H,19,22)(H,23,24)
InChIKeyLWNJDTUGYQISJF-UHFFFAOYSA-N
MW359.69 g/mol
LogP3.11
Rot. Bonds2

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

8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid (PubChem CID 23206427) has the molecular formula C14H9ClF3N3O3 and a molecular weight of 359.69 g/mol. Its IUPAC name is 8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
PubChem CID23206427
Molecular FormulaC14H9ClF3N3O3
Molecular Weight359.69 g/mol
Exact Mass359.03
IUPAC Name8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
SMILESCCc1c(C(=O)O)nc2c(=O)[nH]c3cc(C(F)(F)F)c(Cl)cc3n12
InChIInChI=1S/C14H9ClF3N3O3/c1-2-8-10(13(23)24)20-11-12(22)19-7-3-5(14(16,17)18)6(15)4-9(7)21(8)11/h3-4H,2H2,1H3,(H,19,22)(H,23,24)
InChIKeyLWNJDTUGYQISJF-UHFFFAOYSA-N
XLogP3.11
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.69
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid (CID 23206427) is 8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid is CCc1c(C(=O)O)nc2c(=O)[nH]c3cc(C(F)(F)F)c(Cl)cc3n12.
What is the InChIKey of 8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
The InChIKey is LWNJDTUGYQISJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O3/c1-2-8-10(13(23)24)20-11-12(22)19-7-3-5(14(16,17)18)6(15)4-9(7)21(8)11/h3-4H,2H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid has a molecular weight of 359.69 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 23206427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).