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

C19H18N2O5S — CID 2646003

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate
SMILESCOc1cc(SC)ccc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C19H18N2O5S/c1-25-16-9-12(27-2)7-8-13(16)19(24)26-11-18(23)21-10-17(22)20-14-5-3-4-6-15(14)21/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyXJPCXUJXKGLHCK-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.56
Rot. Bonds5

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate (PubChem CID 2646003) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate
PubChem CID2646003
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate
SMILESCOc1cc(SC)ccc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C19H18N2O5S/c1-25-16-9-12(27-2)7-8-13(16)19(24)26-11-18(23)21-10-17(22)20-14-5-3-4-6-15(14)21/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyXJPCXUJXKGLHCK-UHFFFAOYSA-N
XLogP2.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate 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-methoxy-4-methylsulfanylbenzoate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate (CID 2646003) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate is COc1cc(SC)ccc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate?
The InChIKey is XJPCXUJXKGLHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-25-16-9-12(27-2)7-8-13(16)19(24)26-11-18(23)21-10-17(22)20-14-5-3-4-6-15(14)21/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate has a molecular weight of 386.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate is sourced from PubChem (CID 2646003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).