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

C14H14N2O4 — CID 115931509

IUPAC4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
SMILESCC(C1CC1)n1c(=O)c(=O)[nH]c2cccc(C(=O)O)c21
InChIInChI=1S/C14H14N2O4/c1-7(8-5-6-8)16-11-9(14(19)20)3-2-4-10(11)15-12(17)13(16)18/h2-4,7-8H,5-6H2,1H3,(H,15,17)(H,19,20)
InChIKeyDAKMBBUBDTVLNX-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.36
Rot. Bonds3

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

4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid (PubChem CID 115931509) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
PubChem CID115931509
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
SMILESCC(C1CC1)n1c(=O)c(=O)[nH]c2cccc(C(=O)O)c21
InChIInChI=1S/C14H14N2O4/c1-7(8-5-6-8)16-11-9(14(19)20)3-2-4-10(11)15-12(17)13(16)18/h2-4,7-8H,5-6H2,1H3,(H,15,17)(H,19,20)
InChIKeyDAKMBBUBDTVLNX-UHFFFAOYSA-N
XLogP1.36
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.36
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

4-(1-ethoxypropan-2-yl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
CID 115931599
4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
CID 82784118
4-(2,2-dimethylpropyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
CID 115931540
4-(3-methoxy-2-methylpropyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
CID 115931619
3-(1-cyclopropylethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
CID 115932914
3-(1-cyclopropylethyl)benzimidazole-4-carboxylic acid
CID 112577152
3-(1-methylsulfonylpropan-2-yl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931695
3-(2-methylpropyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 112576480
4-(3-methoxy-3-oxopropyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
CID 115931542
1-(1-amino-1-oxopropan-2-yl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid
CID 115541321
1-(4-methylpentan-2-yl)-2,3-dioxo-4H-quinoxaline-5-carboxylic acid
CID 115541310
3-(1-cyclohexylethyl)benzotriazole-4-carboxylic acid
CID 115931960

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid?
The IUPAC name of 4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid (CID 115931509) is 4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid.
What is the SMILES notation for 4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid?
The canonical SMILES for 4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid is CC(C1CC1)n1c(=O)c(=O)[nH]c2cccc(C(=O)O)c21.
What is the InChIKey of 4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid?
The InChIKey is DAKMBBUBDTVLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-7(8-5-6-8)16-11-9(14(19)20)3-2-4-10(11)15-12(17)13(16)18/h2-4,7-8H,5-6H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid?
4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid is sourced from PubChem (CID 115931509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).