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

C16H10F3N5O3 — CID 23295835

IUPAC8-imidazol-1-yl-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
SMILESCc1c(C(=O)O)nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4ccnc4)cc3n12
InChIInChI=1S/C16H10F3N5O3/c1-7-12(15(26)27)22-13-14(25)21-9-4-8(16(17,18)19)10(5-11(9)24(7)13)23-3-2-20-6-23/h2-6H,1H3,(H,21,25)(H,26,27)
InChIKeyDVHSNPRIWWCDCL-UHFFFAOYSA-N
MW377.28 g/mol
LogP2.39
Rot. Bonds2

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

8-imidazol-1-yl-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid (PubChem CID 23295835) has the molecular formula C16H10F3N5O3 and a molecular weight of 377.28 g/mol. Its IUPAC name is 8-imidazol-1-yl-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name8-imidazol-1-yl-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
PubChem CID23295835
Molecular FormulaC16H10F3N5O3
Molecular Weight377.28 g/mol
Exact Mass377.07
IUPAC Name8-imidazol-1-yl-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
SMILESCc1c(C(=O)O)nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4ccnc4)cc3n12
InChIInChI=1S/C16H10F3N5O3/c1-7-12(15(26)27)22-13-14(25)21-9-4-8(16(17,18)19)10(5-11(9)24(7)13)23-3-2-20-6-23/h2-6H,1H3,(H,21,25)(H,26,27)
InChIKeyDVHSNPRIWWCDCL-UHFFFAOYSA-N
XLogP2.39
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-(3-Formyl-pyrrol-1-yl)-4-oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 11223047
8-(3-Carboxy-pyrrol-1-yl)-4-oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 11350297
1-[2-ethoxycarbonyl-4-oxo-7-(trifluoromethyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-8-yl]pyrrole-3-carboxylic acid
CID 11419149
8-Imidazol-1-yl-4-oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 11740016
2-Carboxy-1-methyl-7-trifluoromethylimidazo[1,2-a]quinoxalin-4(5H)-one
CID 9839704
ethyl 1-methyl-4-oxo-8-pyrrol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
CID 9931055
methyl 8-amino-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
CID 15379902
ethyl 8-amino-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
CID 15817044
ethyl 8-(3-formylpyrrol-1-yl)-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
CID 15817046
ethyl 1-methyl-4-oxo-8-[3-[(phenylcarbamoylamino)methyl]pyrrol-1-yl]-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
CID 15817047
ethyl 8-[3-(acetamidomethyl)pyrrol-1-yl]-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
CID 15817049
8-(3-formylpyrrol-1-yl)-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
CID 15817052

Frequently Asked Questions

What is the IUPAC name of 8-imidazol-1-yl-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 8-imidazol-1-yl-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid (CID 23295835) is 8-imidazol-1-yl-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 8-imidazol-1-yl-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 8-imidazol-1-yl-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid is Cc1c(C(=O)O)nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4ccnc4)cc3n12.
What is the InChIKey of 8-imidazol-1-yl-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
The InChIKey is DVHSNPRIWWCDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O3/c1-7-12(15(26)27)22-13-14(25)21-9-4-8(16(17,18)19)10(5-11(9)24(7)13)23-3-2-20-6-23/h2-6H,1H3,(H,21,25)(H,26,27).
What are the key properties of 8-imidazol-1-yl-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid?
8-imidazol-1-yl-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid has a molecular weight of 377.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imidazol-1-yl-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 23295835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).