4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one

C23H23N3O2S — CID 2551876

IUPAC4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one
SMILESCc1cc(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)nc2c(C)cccc12
InChIInChI=1S/C23H23N3O2S/c1-14-8-7-9-16-15(2)12-19(25-21(14)16)29-13-20(27)26-18-11-6-5-10-17(18)24-22(28)23(26,3)4/h5-12H,13H2,1-4H3,(H,24,28)
InChIKeyQUUVZVHNLPARDX-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.71
Rot. Bonds3

About 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one

4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one (PubChem CID 2551876) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one
PubChem CID2551876
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one
SMILESCc1cc(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)nc2c(C)cccc12
InChIInChI=1S/C23H23N3O2S/c1-14-8-7-9-16-15(2)12-19(25-21(14)16)29-13-20(27)26-18-11-6-5-10-17(18)24-22(28)23(26,3)4/h5-12H,13H2,1-4H3,(H,24,28)
InChIKeyQUUVZVHNLPARDX-UHFFFAOYSA-N
XLogP4.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
The IUPAC name of 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one (CID 2551876) is 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one is Cc1cc(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)nc2c(C)cccc12.
What is the InChIKey of 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
The InChIKey is QUUVZVHNLPARDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-14-8-7-9-16-15(2)12-19(25-21(14)16)29-13-20(27)26-18-11-6-5-10-17(18)24-22(28)23(26,3)4/h5-12H,13H2,1-4H3,(H,24,28).
What are the key properties of 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one has a molecular weight of 405.52 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 2551876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).