5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde

C13H11N3O2 — CID 19896739

IUPAC5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde
SMILESCCn1c(=O)c2c(C=O)ncn2c2ccccc21
InChIInChI=1S/C13H11N3O2/c1-2-15-10-5-3-4-6-11(10)16-8-14-9(7-17)12(16)13(15)18/h3-8H,2H2,1H3
InChIKeyPESJFVJUBLLQBA-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.48
Rot. Bonds2

About 5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde

5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde (PubChem CID 19896739) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde
PubChem CID19896739
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde
SMILESCCn1c(=O)c2c(C=O)ncn2c2ccccc21
InChIInChI=1S/C13H11N3O2/c1-2-15-10-5-3-4-6-11(10)16-8-14-9(7-17)12(16)13(15)18/h3-8H,2H2,1H3
InChIKeyPESJFVJUBLLQBA-UHFFFAOYSA-N
XLogP1.48
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde?
The IUPAC name of 5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde (CID 19896739) is 5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde.
What is the SMILES notation for 5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde?
The canonical SMILES for 5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde is CCn1c(=O)c2c(C=O)ncn2c2ccccc21.
What is the InChIKey of 5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde?
The InChIKey is PESJFVJUBLLQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-2-15-10-5-3-4-6-11(10)16-8-14-9(7-17)12(16)13(15)18/h3-8H,2H2,1H3.
What are the key properties of 5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde?
5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde has a molecular weight of 241.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde is sourced from PubChem (CID 19896739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).