[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate

C22H21NO5S — CID 7487625

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)CSc2cc(C)c3ccccc3n2)c1
InChIInChI=1S/C22H21NO5S/c1-14-10-21(23-18-7-5-4-6-16(14)18)29-13-22(25)28-12-19(24)17-11-15(26-2)8-9-20(17)27-3/h4-11H,12-13H2,1-3H3
InChIKeyZCVWYHCRRJBHAZ-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.08
Rot. Bonds8

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate (PubChem CID 7487625) has the molecular formula C22H21NO5S and a molecular weight of 411.48 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
PubChem CID7487625
Molecular FormulaC22H21NO5S
Molecular Weight411.48 g/mol
Exact Mass411.11
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)CSc2cc(C)c3ccccc3n2)c1
InChIInChI=1S/C22H21NO5S/c1-14-10-21(23-18-7-5-4-6-16(14)18)29-13-22(25)28-12-19(24)17-11-15(26-2)8-9-20(17)27-3/h4-11H,12-13H2,1-3H3
InChIKeyZCVWYHCRRJBHAZ-UHFFFAOYSA-N
XLogP4.08
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate 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

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7875368
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 30344284
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7628495
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate
CID 30779612
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175294
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175331
1-(2,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylethanone
CID 4019313
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 23967505
[2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642063
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175203
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 11888462
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate
CID 25379932

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate (CID 7487625) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate is COc1ccc(OC)c(C(=O)COC(=O)CSc2cc(C)c3ccccc3n2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate?
The InChIKey is ZCVWYHCRRJBHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5S/c1-14-10-21(23-18-7-5-4-6-16(14)18)29-13-22(25)28-12-19(24)17-11-15(26-2)8-9-20(17)27-3/h4-11H,12-13H2,1-3H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate has a molecular weight of 411.48 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate is sourced from PubChem (CID 7487625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).