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

C23H24N4O7S — CID 2413170

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)c2)CC1
InChIInChI=1S/C23H24N4O7S/c1-16(28)25-9-11-26(12-10-25)35(32,33)18-6-4-5-17(13-18)23(31)34-15-22(30)27-14-21(29)24-19-7-2-3-8-20(19)27/h2-8,13H,9-12,14-15H2,1H3,(H,24,29)
InChIKeyBOKBIXNGOBYANM-UHFFFAOYSA-N
MW500.53 g/mol
LogP0.68
Rot. Bonds5

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate (PubChem CID 2413170) has the molecular formula C23H24N4O7S and a molecular weight of 500.53 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate
PubChem CID2413170
Molecular FormulaC23H24N4O7S
Molecular Weight500.53 g/mol
Exact Mass500.14
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)c2)CC1
InChIInChI=1S/C23H24N4O7S/c1-16(28)25-9-11-26(12-10-25)35(32,33)18-6-4-5-17(13-18)23(31)34-15-22(30)27-14-21(29)24-19-7-2-3-8-20(19)27/h2-8,13H,9-12,14-15H2,1H3,(H,24,29)
InChIKeyBOKBIXNGOBYANM-UHFFFAOYSA-N
XLogP0.68
TPSA133.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate 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-acetylpiperazin-1-yl)sulfonylbenzoate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate (CID 2413170) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)c2)CC1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate?
The InChIKey is BOKBIXNGOBYANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O7S/c1-16(28)25-9-11-26(12-10-25)35(32,33)18-6-4-5-17(13-18)23(31)34-15-22(30)27-14-21(29)24-19-7-2-3-8-20(19)27/h2-8,13H,9-12,14-15H2,1H3,(H,24,29).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate has a molecular weight of 500.53 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-acetylpiperazin-1-yl)sulfonylbenzoate is sourced from PubChem (CID 2413170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).