4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid

C12H8N2O3 — CID 82618520

IUPAC4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1cc2c(=O)[nH]c3ccccc3n2c1
InChIInChI=1S/C12H8N2O3/c15-11-10-5-7(12(16)17)6-14(10)9-4-2-1-3-8(9)13-11/h1-6H,(H,13,15)(H,16,17)
InChIKeyUQLPFTJMNTUXMF-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.48
Rot. Bonds1

About 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid

4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid (PubChem CID 82618520) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid
PubChem CID82618520
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid
SMILESO=C(O)c1cc2c(=O)[nH]c3ccccc3n2c1
InChIInChI=1S/C12H8N2O3/c15-11-10-5-7(12(16)17)6-14(10)9-4-2-1-3-8(9)13-11/h1-6H,(H,13,15)(H,16,17)
InChIKeyUQLPFTJMNTUXMF-UHFFFAOYSA-N
XLogP1.48
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-4H-pyrrolo[1,2-a]quinazoline-2-carboxylic acid
CID 71231586
methyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate
CID 102575760
3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82513951
4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 59587752
3-methyl-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 175861879
2-(2-oxo-3H-benzimidazol-1-yl)-3H-benzimidazole-5-carboxylic acid
CID 70143818
4-(2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
CID 82784386
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide
CID 110396450
4-cyclopropyl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
CID 82784318
3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 83015711
4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid
CID 135568407
1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid
CID 23467554

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid?
The IUPAC name of 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid (CID 82618520) is 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid?
The canonical SMILES for 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid is O=C(O)c1cc2c(=O)[nH]c3ccccc3n2c1.
What is the InChIKey of 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid?
The InChIKey is UQLPFTJMNTUXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c15-11-10-5-7(12(16)17)6-14(10)9-4-2-1-3-8(9)13-11/h1-6H,(H,13,15)(H,16,17).
What are the key properties of 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid?
4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid has a molecular weight of 228.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 82618520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).