4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid

C14H16N2O5 — CID 104762113

IUPAC4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
SMILESCOC(C)(C)Cn1c(=O)c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C14H16N2O5/c1-14(2,21-3)7-16-10-6-8(13(19)20)4-5-9(10)15-11(17)12(16)18/h4-6H,7H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyFKFZMKABWNNUAK-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.81
Rot. Bonds4

About 4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid

4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid (PubChem CID 104762113) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
PubChem CID104762113
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
SMILESCOC(C)(C)Cn1c(=O)c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C14H16N2O5/c1-14(2,21-3)7-16-10-6-8(13(19)20)4-5-9(10)15-11(17)12(16)18/h4-6H,7H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyFKFZMKABWNNUAK-UHFFFAOYSA-N
XLogP0.81
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
The IUPAC name of 4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid (CID 104762113) is 4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid is COC(C)(C)Cn1c(=O)c(=O)[nH]c2ccc(C(=O)O)cc21.
What is the InChIKey of 4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
The InChIKey is FKFZMKABWNNUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-14(2,21-3)7-16-10-6-8(13(19)20)4-5-9(10)15-11(17)12(16)18/h4-6H,7H2,1-3H3,(H,15,17)(H,19,20).
What are the key properties of 4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 104762113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).