Quinoline, 8-ethyl-4-methyl-2-[(1-phenylethyl)sulfonyl]-

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Basic information

CAS: 521945-32-4
Standard SMILES: CCc1cccc2c(C)cc(S(=O)(=O)C(C)c3ccccc3)nc12
InChIKey: XVUVGMKZTHYNNU-UHFFFAOYSA-N
Molecular formula: C20H21NO2S
Average molar mass: 339.5 g/mol
Monoisotopic mass: 339.12930009

Names & identifiers

Preferred name: Quinoline, 8-ethyl-4-methyl-2-[(1-phenylethyl)sulfonyl]-
IUPAC: 8-ethyl-4-methyl-2-(1-phenylethylsulfonyl)quinoline

Names & synonyms

Quinoline, 8-ethyl-4-methyl-2-[(1-phenylethyl)sulfonyl]-8-ethyl-4-methyl-2-(1-phenylethylsulfonyl)quinoline521945-32-4SCHEMBL5953168DTXSID703334938-ETHYL-4-METHYL-2-(1-PHENYLETHANESULFONYL)QUINOLINE

Database identifiers

CAS: 521945-32-4
PubChem CID: 507296
DTXSID: DTXSID70333493

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 506

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Compound notes

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