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

C11H7N3O3 — CID 13309895

IUPAC4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid
SMILESO=C(O)c1ncn2c1c(=O)[nH]c1ccccc12
InChIInChI=1S/C11H7N3O3/c15-10-9-8(11(16)17)12-5-14(9)7-4-2-1-3-6(7)13-10/h1-5H,(H,13,15)(H,16,17)
InChIKeyZSMHJCDRBGYPQV-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.87
Rot. Bonds1

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

4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid (PubChem CID 13309895) has the molecular formula C11H7N3O3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid
PubChem CID13309895
Molecular FormulaC11H7N3O3
Molecular Weight229.20 g/mol
Exact Mass229.05
IUPAC Name4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid
SMILESO=C(O)c1ncn2c1c(=O)[nH]c1ccccc12
InChIInChI=1S/C11H7N3O3/c15-10-9-8(11(16)17)12-5-14(9)7-4-2-1-3-6(7)13-10/h1-5H,(H,13,15)(H,16,17)
InChIKeyZSMHJCDRBGYPQV-UHFFFAOYSA-N
XLogP0.87
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Phenylcarbamoyl-3H-imidazole-4-carboxylic acid
CID 564859
5-(4-Amino-phenylcarbamoyl)-3H-imidazole-4-carboxylic acid
CID 3132734
tert-butyl 5-acetyl-7-fluoro-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 127045358
U 93631
CID 197626
tert-butyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10448284
tert-butyl 5-(dimethylcarbamoyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10545247
tert-butyl 5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10645310
tert-butyl 5-(piperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate;hydrochloride
CID 45259305
N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxamide
CID 46903859
ethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 127045356
ethyl 5-acetyl-7-fluoro-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 127045357
Bas 01557661
CID 784642

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid?
The IUPAC name of 4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid (CID 13309895) is 4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid?
The canonical SMILES for 4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid is O=C(O)c1ncn2c1c(=O)[nH]c1ccccc12.
What is the InChIKey of 4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid?
The InChIKey is ZSMHJCDRBGYPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O3/c15-10-9-8(11(16)17)12-5-14(9)7-4-2-1-3-6(7)13-10/h1-5H,(H,13,15)(H,16,17).
What are the key properties of 4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid?
4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid has a molecular weight of 229.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5H-imidazo[1,5-a]quinoxaline-3-carboxylic acid is sourced from PubChem (CID 13309895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).