4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline

C20H23NO2STe — CID 71664020

IUPAC4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline
SMILESCCCC[Te]C1=CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C20H23NO2STe/c1-3-4-15-25-20-13-14-21(19-8-6-5-7-18(19)20)24(22,23)17-11-9-16(2)10-12-17/h5-13H,3-4,14-15H2,1-2H3
InChIKeyPWKHFMVBCKGWCW-UHFFFAOYSA-N
MW469.08 g/mol
LogP4.47
Rot. Bonds6

About 4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline

4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline (PubChem CID 71664020) has the molecular formula C20H23NO2STe and a molecular weight of 469.08 g/mol. Its IUPAC name is 4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline.

Molecular Properties

Compound Name4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline
PubChem CID71664020
Molecular FormulaC20H23NO2STe
Molecular Weight469.08 g/mol
Exact Mass471.05
IUPAC Name4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline
SMILESCCCC[Te]C1=CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C20H23NO2STe/c1-3-4-15-25-20-13-14-21(19-8-6-5-7-18(19)20)24(22,23)17-11-9-16(2)10-12-17/h5-13H,3-4,14-15H2,1-2H3
InChIKeyPWKHFMVBCKGWCW-UHFFFAOYSA-N
XLogP4.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.08
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline 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-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline?
The IUPAC name of 4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline (CID 71664020) is 4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline.
What is the SMILES notation for 4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline?
The canonical SMILES for 4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline is CCCC[Te]C1=CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of 4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline?
The InChIKey is PWKHFMVBCKGWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2STe/c1-3-4-15-25-20-13-14-21(19-8-6-5-7-18(19)20)24(22,23)17-11-9-16(2)10-12-17/h5-13H,3-4,14-15H2,1-2H3.
What are the key properties of 4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline?
4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline has a molecular weight of 469.08 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyltellanyl-1-(4-methylphenyl)sulfonyl-2H-quinoline is sourced from PubChem (CID 71664020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).