2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid

C13H10N2O3 — CID 20967181

IUPAC2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid
SMILESO=C(O)Cn1c(=O)c2cccn2c2ccccc21
InChIInChI=1S/C13H10N2O3/c16-12(17)8-15-10-5-2-1-4-9(10)14-7-3-6-11(14)13(15)18/h1-7H,8H2,(H,16,17)
InChIKeyICOJQUUOJVMCDP-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.34
Rot. Bonds2

About 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid

2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid (PubChem CID 20967181) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid
PubChem CID20967181
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid
SMILESO=C(O)Cn1c(=O)c2cccn2c2ccccc21
InChIInChI=1S/C13H10N2O3/c16-12(17)8-15-10-5-2-1-4-9(10)14-7-3-6-11(14)13(15)18/h1-7H,8H2,(H,16,17)
InChIKeyICOJQUUOJVMCDP-UHFFFAOYSA-N
XLogP1.34
TPSA63.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid?
The IUPAC name of 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid (CID 20967181) is 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid?
The canonical SMILES for 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid is O=C(O)Cn1c(=O)c2cccn2c2ccccc21.
What is the InChIKey of 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid?
The InChIKey is ICOJQUUOJVMCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-12(17)8-15-10-5-2-1-4-9(10)14-7-3-6-11(14)13(15)18/h1-7H,8H2,(H,16,17).
What are the key properties of 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid?
2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid has a molecular weight of 242.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetic acid is sourced from PubChem (CID 20967181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).