1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid

C10H10N2O3 — CID 4054533

IUPAC1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
SMILESCN1CC(=O)Nc2cc(C(=O)O)ccc21
InChIInChI=1S/C10H10N2O3/c1-12-5-9(13)11-7-4-6(10(14)15)2-3-8(7)12/h2-4H,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyZQAREAJRBFNQEW-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.77
Rot. Bonds1

About 1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid

1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid (PubChem CID 4054533) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
PubChem CID4054533
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
SMILESCN1CC(=O)Nc2cc(C(=O)O)ccc21
InChIInChI=1S/C10H10N2O3/c1-12-5-9(13)11-7-4-6(10(14)15)2-3-8(7)12/h2-4H,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyZQAREAJRBFNQEW-UHFFFAOYSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
The IUPAC name of 1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid (CID 4054533) is 1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid.
What is the SMILES notation for 1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
The canonical SMILES for 1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid is CN1CC(=O)Nc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
The InChIKey is ZQAREAJRBFNQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-12-5-9(13)11-7-4-6(10(14)15)2-3-8(7)12/h2-4H,5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid is sourced from PubChem (CID 4054533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).