7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid

C10H7BrN2O3 — CID 59874547

IUPAC7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid
SMILESCc1cc2[nH]c(=O)c(C(=O)O)nc2cc1Br
InChIInChI=1S/C10H7BrN2O3/c1-4-2-6-7(3-5(4)11)12-8(10(15)16)9(14)13-6/h2-3H,1H3,(H,13,14)(H,15,16)
InChIKeyCWGSVKMYSDXUPA-UHFFFAOYSA-N
MW283.08 g/mol
LogP1.69
Rot. Bonds1

About 7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid

7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid (PubChem CID 59874547) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is 7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid
PubChem CID59874547
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Name7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid
SMILESCc1cc2[nH]c(=O)c(C(=O)O)nc2cc1Br
InChIInChI=1S/C10H7BrN2O3/c1-4-2-6-7(3-5(4)11)12-8(10(15)16)9(14)13-6/h2-3H,1H3,(H,13,14)(H,15,16)
InChIKeyCWGSVKMYSDXUPA-UHFFFAOYSA-N
XLogP1.69
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3,7-dimethyl-1H-quinoxalin-2-one
CID 59874508
6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 59874590
methyl 5-bromo-6-methyl-1H-benzimidazole-2-carboxylate
CID 131099091
7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 77230400
5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde
CID 131048969
N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 95990031
ethyl 7-bromo-6-nitro-3-oxo-4H-quinoxaline-2-carboxylate
CID 18369157
2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid
CID 83903030
3-bromo-6-methyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylic acid
CID 138686935
ethyl 7-bromo-3-oxo-4H-quinoxaline-2-carboxylate
CID 18369213
3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one
CID 18526145
6,7-dimethyl-3-oxo-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-4H-quinoxaline-2-carboxylic acid;hydrate
CID 118975918

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid?
The IUPAC name of 7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid (CID 59874547) is 7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid.
What is the SMILES notation for 7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid?
The canonical SMILES for 7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid is Cc1cc2[nH]c(=O)c(C(=O)O)nc2cc1Br.
What is the InChIKey of 7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid?
The InChIKey is CWGSVKMYSDXUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c1-4-2-6-7(3-5(4)11)12-8(10(15)16)9(14)13-6/h2-3H,1H3,(H,13,14)(H,15,16).
What are the key properties of 7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid?
7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid has a molecular weight of 283.08 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid is sourced from PubChem (CID 59874547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).