1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid

C18H13N3O3 — CID 12909310

IUPAC1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid
SMILESO=C(O)c1nc(Cc2ccccc2)n2c1c(=O)[nH]c1ccccc12
InChIInChI=1S/C18H13N3O3/c22-17-16-15(18(23)24)20-14(10-11-6-2-1-3-7-11)21(16)13-9-5-4-8-12(13)19-17/h1-9H,10H2,(H,19,22)(H,23,24)
InChIKeyRYLADXLWDMRACD-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.46
Rot. Bonds3

About 1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid

1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid (PubChem CID 12909310) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid
PubChem CID12909310
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid
SMILESO=C(O)c1nc(Cc2ccccc2)n2c1c(=O)[nH]c1ccccc12
InChIInChI=1S/C18H13N3O3/c22-17-16-15(18(23)24)20-14(10-11-6-2-1-3-7-11)21(16)13-9-5-4-8-12(13)19-17/h1-9H,10H2,(H,19,22)(H,23,24)
InChIKeyRYLADXLWDMRACD-UHFFFAOYSA-N
XLogP2.46
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid?
The IUPAC name of 1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid (CID 12909310) is 1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid?
The canonical SMILES for 1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid is O=C(O)c1nc(Cc2ccccc2)n2c1c(=O)[nH]c1ccccc12.
What is the InChIKey of 1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid?
The InChIKey is RYLADXLWDMRACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-17-16-15(18(23)24)20-14(10-11-6-2-1-3-7-11)21(16)13-9-5-4-8-12(13)19-17/h1-9H,10H2,(H,19,22)(H,23,24).
What are the key properties of 1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid?
1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid is sourced from PubChem (CID 12909310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).