7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid

C10H8N2O4 — CID 77230400

IUPAC7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid
SMILESCOc1ccc2[nH]c(=O)c(C(=O)O)nc2c1
InChIInChI=1S/C10H8N2O4/c1-16-5-2-3-6-7(4-5)11-8(10(14)15)9(13)12-6/h2-4H,1H3,(H,12,13)(H,14,15)
InChIKeyYLXUVCCIHYSSAJ-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.63
Rot. Bonds2

About 7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid

7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid (PubChem CID 77230400) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid
PubChem CID77230400
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid
SMILESCOc1ccc2[nH]c(=O)c(C(=O)O)nc2c1
InChIInChI=1S/C10H8N2O4/c1-16-5-2-3-6-7(4-5)11-8(10(14)15)9(13)12-6/h2-4H,1H3,(H,12,13)(H,14,15)
InChIKeyYLXUVCCIHYSSAJ-UHFFFAOYSA-N
XLogP0.63
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid
CID 57363629
3-amino-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115039979
7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 59874547
2-methoxy-11H-indolo[3,2-c]quinoline-6,8-dicarboxylic acid
CID 102287893
6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one
CID 134852700
2-(7-methoxy-4-oxo-3H-quinazolin-2-yl)propanoic acid
CID 136918100
3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
CID 92929852
3,7-dimethoxy-1H-quinoxalin-2-one
CID 130182707
3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
CID 57329512
ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
CID 18008890
7-chloro-3-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]-1H-quinoxalin-2-one
CID 92542658
2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride
CID 13342125

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid?
The IUPAC name of 7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid (CID 77230400) is 7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid?
The canonical SMILES for 7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid is COc1ccc2[nH]c(=O)c(C(=O)O)nc2c1.
What is the InChIKey of 7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid?
The InChIKey is YLXUVCCIHYSSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-16-5-2-3-6-7(4-5)11-8(10(14)15)9(13)12-6/h2-4H,1H3,(H,12,13)(H,14,15).
What are the key properties of 7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid?
7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid is sourced from PubChem (CID 77230400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).