2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one

C28H21NO2Se — CID 11975361

IUPAC2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one
SMILESCOc1ccc([Se]C2=Nc3ccccc3C(=O)C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H21NO2Se/c1-31-22-16-18-23(19-17-22)32-27-28(20-10-4-2-5-11-20,21-12-6-3-7-13-21)26(30)24-14-8-9-15-25(24)29-27/h2-19H,1H3
InChIKeyWREPPHWRRCAKKO-UHFFFAOYSA-N
MW482.44 g/mol
LogP4.94
Rot. Bonds5

About 2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one

2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one (PubChem CID 11975361) has the molecular formula C28H21NO2Se and a molecular weight of 482.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one
PubChem CID11975361
Molecular FormulaC28H21NO2Se
Molecular Weight482.44 g/mol
Exact Mass483.07
IUPAC Name2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one
SMILESCOc1ccc([Se]C2=Nc3ccccc3C(=O)C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H21NO2Se/c1-31-22-16-18-23(19-17-22)32-27-28(20-10-4-2-5-11-20,21-12-6-3-7-13-21)26(30)24-14-8-9-15-25(24)29-27/h2-19H,1H3
InChIKeyWREPPHWRRCAKKO-UHFFFAOYSA-N
XLogP4.94
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one (CID 11975361) is 2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one is COc1ccc([Se]C2=Nc3ccccc3C(=O)C2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one?
The InChIKey is WREPPHWRRCAKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO2Se/c1-31-22-16-18-23(19-17-22)32-27-28(20-10-4-2-5-11-20,21-12-6-3-7-13-21)26(30)24-14-8-9-15-25(24)29-27/h2-19H,1H3.
What are the key properties of 2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one?
2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one has a molecular weight of 482.44 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one is sourced from PubChem (CID 11975361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).