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

C17H12F3N5O3 — CID 23295824

IUPAC1-methyl-8-(2-methylimidazol-1-yl)-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
SMILESCc1nccn1-c1cc2c(cc1C(F)(F)F)[nH]c(=O)c1nc(C(=O)O)c(C)n12
InChIInChI=1S/C17H12F3N5O3/c1-7-13(16(27)28)23-14-15(26)22-10-5-9(17(18,19)20)11(6-12(10)25(7)14)24-4-3-21-8(24)2/h3-6H,1-2H3,(H,22,26)(H,27,28)
InChIKeyRZYAQHQOQRNTEW-UHFFFAOYSA-N
MW391.31 g/mol
LogP2.70
Rot. Bonds2

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

1-methyl-8-(2-methylimidazol-1-yl)-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid (PubChem CID 23295824) has the molecular formula C17H12F3N5O3 and a molecular weight of 391.31 g/mol. Its IUPAC name is 1-methyl-8-(2-methylimidazol-1-yl)-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-8-(2-methylimidazol-1-yl)-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
PubChem CID23295824
Molecular FormulaC17H12F3N5O3
Molecular Weight391.31 g/mol
Exact Mass391.09
IUPAC Name1-methyl-8-(2-methylimidazol-1-yl)-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
SMILESCc1nccn1-c1cc2c(cc1C(F)(F)F)[nH]c(=O)c1nc(C(=O)O)c(C)n12
InChIInChI=1S/C17H12F3N5O3/c1-7-13(16(27)28)23-14-15(26)22-10-5-9(17(18,19)20)11(6-12(10)25(7)14)24-4-3-21-8(24)2/h3-6H,1-2H3,(H,22,26)(H,27,28)
InChIKeyRZYAQHQOQRNTEW-UHFFFAOYSA-N
XLogP2.70
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(2-methylimidazol-1-yl)-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 1-methyl-8-(2-methylimidazol-1-yl)-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid (CID 23295824) is 1-methyl-8-(2-methylimidazol-1-yl)-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 1-methyl-8-(2-methylimidazol-1-yl)-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 1-methyl-8-(2-methylimidazol-1-yl)-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid is Cc1nccn1-c1cc2c(cc1C(F)(F)F)[nH]c(=O)c1nc(C(=O)O)c(C)n12.
What is the InChIKey of 1-methyl-8-(2-methylimidazol-1-yl)-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
The InChIKey is RZYAQHQOQRNTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O3/c1-7-13(16(27)28)23-14-15(26)22-10-5-9(17(18,19)20)11(6-12(10)25(7)14)24-4-3-21-8(24)2/h3-6H,1-2H3,(H,22,26)(H,27,28).
What are the key properties of 1-methyl-8-(2-methylimidazol-1-yl)-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
1-methyl-8-(2-methylimidazol-1-yl)-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid has a molecular weight of 391.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(2-methylimidazol-1-yl)-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 23295824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).