4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one

C14H17N3O4S — CID 136562469

IUPAC4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCC1(CC(=O)N2CC(=O)Nc3ccccc32)CCS(=O)(=O)N1
InChIInChI=1S/C14H17N3O4S/c1-14(6-7-22(20,21)16-14)8-13(19)17-9-12(18)15-10-4-2-3-5-11(10)17/h2-5,16H,6-9H2,1H3,(H,15,18)
InChIKeyWZQGZRGEGOYEME-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.44
Rot. Bonds2

About 4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 136562469) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID136562469
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCC1(CC(=O)N2CC(=O)Nc3ccccc32)CCS(=O)(=O)N1
InChIInChI=1S/C14H17N3O4S/c1-14(6-7-22(20,21)16-14)8-13(19)17-9-12(18)15-10-4-2-3-5-11(10)17/h2-5,16H,6-9H2,1H3,(H,15,18)
InChIKeyWZQGZRGEGOYEME-UHFFFAOYSA-N
XLogP0.44
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(1,1-dioxothiolan-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 60669141
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
4-[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 42553533
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
benzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 8533354
4-[2-(4-sulfanylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 107021927
(3aR,7aS)-2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7952020
4-[2-(thian-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 80708962
4-(2-naphthalen-2-ylacetyl)-1,3-dihydroquinoxalin-2-one
CID 16864035
4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8898891
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one (CID 136562469) is 4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one is CC1(CC(=O)N2CC(=O)Nc3ccccc32)CCS(=O)(=O)N1.
What is the InChIKey of 4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is WZQGZRGEGOYEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-14(6-7-22(20,21)16-14)8-13(19)17-9-12(18)15-10-4-2-3-5-11(10)17/h2-5,16H,6-9H2,1H3,(H,15,18).
What are the key properties of 4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 323.37 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 136562469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).