[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate

C19H18ClN3O6S — CID 2552849

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESO=C1CN(C(=O)COC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C19H18ClN3O6S/c20-13-5-7-14(8-6-13)30(27,28)21-10-9-19(26)29-12-18(25)23-11-17(24)22-15-3-1-2-4-16(15)23/h1-8,21H,9-12H2,(H,22,24)
InChIKeyORDPNIKDIYNSMA-UHFFFAOYSA-N
MW451.89 g/mol
LogP1.54
Rot. Bonds7

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate (PubChem CID 2552849) has the molecular formula C19H18ClN3O6S and a molecular weight of 451.89 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
PubChem CID2552849
Molecular FormulaC19H18ClN3O6S
Molecular Weight451.89 g/mol
Exact Mass451.06
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESO=C1CN(C(=O)COC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C19H18ClN3O6S/c20-13-5-7-14(8-6-13)30(27,28)21-10-9-19(26)29-12-18(25)23-11-17(24)22-15-3-1-2-4-16(15)23/h1-8,21H,9-12H2,(H,22,24)
InChIKeyORDPNIKDIYNSMA-UHFFFAOYSA-N
XLogP1.54
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.89
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate 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] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate (CID 2552849) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate is O=C1CN(C(=O)COC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is ORDPNIKDIYNSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O6S/c20-13-5-7-14(8-6-13)30(27,28)21-10-9-19(26)29-12-18(25)23-11-17(24)22-15-3-1-2-4-16(15)23/h1-8,21H,9-12H2,(H,22,24).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 451.89 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 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] 3-[(4-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 2552849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).