2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid

C11H12N2O3 — CID 22064901

IUPAC2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid
SMILESCN1C(=O)C(CC(=O)O)Nc2ccccc21
InChIInChI=1S/C11H12N2O3/c1-13-9-5-3-2-4-7(9)12-8(11(13)16)6-10(14)15/h2-5,8,12H,6H2,1H3,(H,14,15)
InChIKeyLBCUUBCXDLOIHP-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.92
Rot. Bonds2

About 2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid

2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid (PubChem CID 22064901) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid
PubChem CID22064901
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid
SMILESCN1C(=O)C(CC(=O)O)Nc2ccccc21
InChIInChI=1S/C11H12N2O3/c1-13-9-5-3-2-4-7(9)12-8(11(13)16)6-10(14)15/h2-5,8,12H,6H2,1H3,(H,14,15)
InChIKeyLBCUUBCXDLOIHP-UHFFFAOYSA-N
XLogP0.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid?
The IUPAC name of 2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid (CID 22064901) is 2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid is CN1C(=O)C(CC(=O)O)Nc2ccccc21.
What is the InChIKey of 2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid?
The InChIKey is LBCUUBCXDLOIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-13-9-5-3-2-4-7(9)12-8(11(13)16)6-10(14)15/h2-5,8,12H,6H2,1H3,(H,14,15).
What are the key properties of 2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid?
2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid has a molecular weight of 220.23 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxo-1,2-dihydroquinoxalin-2-yl)acetic acid is sourced from PubChem (CID 22064901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).