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

C15H16N2O4 — CID 115541531

IUPAC1-(1-methylcyclopentyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid
SMILESCC1(n2c(=O)c(=O)[nH]c3c(C(=O)O)cccc32)CCCC1
InChIInChI=1S/C15H16N2O4/c1-15(7-2-3-8-15)17-10-6-4-5-9(14(20)21)11(10)16-12(18)13(17)19/h4-6H,2-3,7-8H2,1H3,(H,16,18)(H,20,21)
InChIKeyNJKIIXHQXNKVOA-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.68
Rot. Bonds2

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

1-(1-methylcyclopentyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid (PubChem CID 115541531) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid
PubChem CID115541531
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-(1-methylcyclopentyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid
SMILESCC1(n2c(=O)c(=O)[nH]c3c(C(=O)O)cccc32)CCCC1
InChIInChI=1S/C15H16N2O4/c1-15(7-2-3-8-15)17-10-6-4-5-9(14(20)21)11(10)16-12(18)13(17)19/h4-6H,2-3,7-8H2,1H3,(H,16,18)(H,20,21)
InChIKeyNJKIIXHQXNKVOA-UHFFFAOYSA-N
XLogP1.68
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-amino-1-oxopropan-2-yl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid
CID 115541321
1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid
CID 115541434
1-(cyclobutylmethyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid
CID 115541301
1-(4-methylpentan-2-yl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid
CID 115541310
1-(3-methoxy-3-oxopropyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid
CID 115541354
2,3-dioxo-1-(5-oxopyrrolidin-3-yl)-4H-quinoxaline-5-carboxylic acid
CID 106189481
2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid
CID 115541574
1-(1-methylcyclopentyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 64689401
2-oxo-1-pentan-3-yl-3H-benzimidazole-4-carboxylic acid
CID 113331878
2-oxo-1-(2,4,4-trimethylpentan-2-yl)-3H-benzimidazole-4-carboxylic acid
CID 115541404
2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid
CID 113485836
6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione
CID 115948498

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid?
The IUPAC name of 1-(1-methylcyclopentyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid (CID 115541531) is 1-(1-methylcyclopentyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid.
What is the SMILES notation for 1-(1-methylcyclopentyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid?
The canonical SMILES for 1-(1-methylcyclopentyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid is CC1(n2c(=O)c(=O)[nH]c3c(C(=O)O)cccc32)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid?
The InChIKey is NJKIIXHQXNKVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-15(7-2-3-8-15)17-10-6-4-5-9(14(20)21)11(10)16-12(18)13(17)19/h4-6H,2-3,7-8H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 1-(1-methylcyclopentyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid?
1-(1-methylcyclopentyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid is sourced from PubChem (CID 115541531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).