[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate

C18H16N2O4 — CID 3571140

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate
SMILESO=C1CN(C(=O)COC(=O)Cc2ccccc2)c2ccccc2N1
InChIInChI=1S/C18H16N2O4/c21-16-11-20(15-9-5-4-8-14(15)19-16)17(22)12-24-18(23)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)
InChIKeyOYNURGRZQPPOKE-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.76
Rot. Bonds4

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate (PubChem CID 3571140) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate
PubChem CID3571140
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate
SMILESO=C1CN(C(=O)COC(=O)Cc2ccccc2)c2ccccc2N1
InChIInChI=1S/C18H16N2O4/c21-16-11-20(15-9-5-4-8-14(15)19-16)17(22)12-24-18(23)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)
InChIKeyOYNURGRZQPPOKE-UHFFFAOYSA-N
XLogP1.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate 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-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate (CID 3571140) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate is O=C1CN(C(=O)COC(=O)Cc2ccccc2)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate?
The InChIKey is OYNURGRZQPPOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-16-11-20(15-9-5-4-8-14(15)19-16)17(22)12-24-18(23)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate has a molecular weight of 324.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-phenylacetate is sourced from PubChem (CID 3571140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).