2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid

C12H12N2O4 — CID 57363629

IUPAC2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid
SMILESCOc1ccc2nc(C(C)C(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C12H12N2O4/c1-6(12(16)17)10-11(15)14-9-5-7(18-2)3-4-8(9)13-10/h3-6H,1-2H3,(H,14,15)(H,16,17)
InChIKeyJBZFKBASIYMTEZ-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.12
Rot. Bonds3

About 2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid

2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid (PubChem CID 57363629) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid
PubChem CID57363629
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid
SMILESCOc1ccc2nc(C(C)C(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C12H12N2O4/c1-6(12(16)17)10-11(15)14-9-5-7(18-2)3-4-8(9)13-10/h3-6H,1-2H3,(H,14,15)(H,16,17)
InChIKeyJBZFKBASIYMTEZ-UHFFFAOYSA-N
XLogP1.12
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,7-dimethoxy-1H-quinoxalin-2-one
CID 130182707
2-(7-methoxy-4-oxo-3H-quinazolin-2-yl)propanoic acid
CID 136918100
7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one
CID 11806856
7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 77230400
2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
CID 82562608
3-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]propanoic acid
CID 82336086
2-(7-methoxyquinazolin-4-yl)propanoic acid
CID 105490596
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid?
The IUPAC name of 2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid (CID 57363629) is 2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid.
What is the SMILES notation for 2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid?
The canonical SMILES for 2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid is COc1ccc2nc(C(C)C(=O)O)c(=O)[nH]c2c1.
What is the InChIKey of 2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid?
The InChIKey is JBZFKBASIYMTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-6(12(16)17)10-11(15)14-9-5-7(18-2)3-4-8(9)13-10/h3-6H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid?
2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid has a molecular weight of 248.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid is sourced from PubChem (CID 57363629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).