8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid

C16H16ClN3O3 — CID 59198938

IUPAC8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid
SMILESCCC(CC)c1ncc2c(=O)[nH]c3cc(C(=O)O)c(Cl)cc3n12
InChIInChI=1S/C16H16ClN3O3/c1-3-8(4-2)14-18-7-13-15(21)19-11-5-9(16(22)23)10(17)6-12(11)20(13)14/h5-8H,3-4H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyUIZFRJXCOYRCKT-UHFFFAOYSA-N
MW333.78 g/mol
LogP3.43
Rot. Bonds4

About 8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid

8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid (PubChem CID 59198938) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid.

Molecular Properties

Compound Name8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid
PubChem CID59198938
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid
SMILESCCC(CC)c1ncc2c(=O)[nH]c3cc(C(=O)O)c(Cl)cc3n12
InChIInChI=1S/C16H16ClN3O3/c1-3-8(4-2)14-18-7-13-15(21)19-11-5-9(16(22)23)10(17)6-12(11)20(13)14/h5-8H,3-4H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyUIZFRJXCOYRCKT-UHFFFAOYSA-N
XLogP3.43
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid?
The IUPAC name of 8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid (CID 59198938) is 8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid.
What is the SMILES notation for 8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid?
The canonical SMILES for 8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid is CCC(CC)c1ncc2c(=O)[nH]c3cc(C(=O)O)c(Cl)cc3n12.
What is the InChIKey of 8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid?
The InChIKey is UIZFRJXCOYRCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-3-8(4-2)14-18-7-13-15(21)19-11-5-9(16(22)23)10(17)6-12(11)20(13)14/h5-8H,3-4H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid?
8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid has a molecular weight of 333.78 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-oxo-1-pentan-3-yl-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid is sourced from PubChem (CID 59198938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).