4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid

C14H16N2O5 — CID 115931599

IUPAC4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
SMILESCCOCC(C)n1c(=O)c(=O)[nH]c2cccc(C(=O)O)c21
InChIInChI=1S/C14H16N2O5/c1-3-21-7-8(2)16-11-9(14(19)20)5-4-6-10(11)15-12(17)13(16)18/h4-6,8H,3,7H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyXYVMNPSMAOERBD-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.99
Rot. Bonds5

About 4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid

4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid (PubChem CID 115931599) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
PubChem CID115931599
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
SMILESCCOCC(C)n1c(=O)c(=O)[nH]c2cccc(C(=O)O)c21
InChIInChI=1S/C14H16N2O5/c1-3-21-7-8(2)16-11-9(14(19)20)5-4-6-10(11)15-12(17)13(16)18/h4-6,8H,3,7H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyXYVMNPSMAOERBD-UHFFFAOYSA-N
XLogP0.99
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
CID 115931509
4-(3-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
CID 115931619
3-(1-ethoxypropan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115933177
4-(2,2-dimethylpropyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
CID 115931540
3-(1-methylsulfonylpropan-2-yl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931695
4-(3-methoxy-3-oxopropyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
CID 115931542
1-(4-methylpentan-2-yl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid
CID 115541310
3-(2-methylpropyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 112576480
4-[2-(carbamoylamino)ethyl]-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
CID 115931765
3-(2-methylsulfanylpropyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 113466586
3-(3-methylpentan-3-yl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 106329261
2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid
CID 103487194

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid?
The IUPAC name of 4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid (CID 115931599) is 4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid.
What is the SMILES notation for 4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid?
The canonical SMILES for 4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid is CCOCC(C)n1c(=O)c(=O)[nH]c2cccc(C(=O)O)c21.
What is the InChIKey of 4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid?
The InChIKey is XYVMNPSMAOERBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-3-21-7-8(2)16-11-9(14(19)20)5-4-6-10(11)15-12(17)13(16)18/h4-6,8H,3,7H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid?
4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid is sourced from PubChem (CID 115931599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).