[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate

C18H15N3O3 — CID 46916459

IUPAC[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate
SMILESCC(=O)OCC(=O)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C18H15N3O3/c1-12(22)24-11-18(23)20-14-6-4-5-13(9-14)17-10-19-15-7-2-3-8-16(15)21-17/h2-10H,11H2,1H3,(H,20,23)
InChIKeyQGCKIFPOMOIDBK-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.80
Rot. Bonds4

About [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate

[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate (PubChem CID 46916459) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate
PubChem CID46916459
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate
SMILESCC(=O)OCC(=O)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C18H15N3O3/c1-12(22)24-11-18(23)20-14-6-4-5-13(9-14)17-10-19-15-7-2-3-8-16(15)21-17/h2-10H,11H2,1H3,(H,20,23)
InChIKeyQGCKIFPOMOIDBK-UHFFFAOYSA-N
XLogP2.80
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate?
The IUPAC name of [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate (CID 46916459) is [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate.
What is the SMILES notation for [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate?
The canonical SMILES for [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate is CC(=O)OCC(=O)Nc1cccc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate?
The InChIKey is QGCKIFPOMOIDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-12(22)24-11-18(23)20-14-6-4-5-13(9-14)17-10-19-15-7-2-3-8-16(15)21-17/h2-10H,11H2,1H3,(H,20,23).
What are the key properties of [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate?
[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate has a molecular weight of 321.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] acetate is sourced from PubChem (CID 46916459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).