2-Indolinone, 1-(benzylethylamino)-3-(3-(dimethylamino)propyl)-3-phenyl-, monohydrochloride

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Basic information

CAS: 33456-27-8
Standard SMILES: CCN(Cc1ccccc1)N1C(=O)C(CCC[NH+](C)C)(c2ccccc2)c2ccccc21.[Cl-]
InChIKey: CBZTWGIUSIBDHB-UHFFFAOYSA-N
Molecular formula: C28H34ClN3O
Average molar mass: 464 g/mol
Monoisotopic mass: 463.2390404

Names & identifiers

Preferred name: 2-Indolinone, 1-(benzylethylamino)-3-(3-(dimethylamino)propyl)-3-phenyl-, monohydrochloride
IUPAC: 3-[1-[benzyl(ethyl)amino]-2-oxo-3-phenylindol-3-yl]propyl-dimethylazanium chloride

Names & synonyms

1-(Benzylethylamino)-3-(3-(dimethylamino)propyl)-3-phenyl-2-indolinone hydrochloride33456-27-82-Indolinone, 1-(benzylethylamino)-3-(3-(dimethylamino)propyl)-3-phenyl-, monohydrochlorideRefChem:262072

Database identifiers

CAS: 33456-27-8
PubChem CID: 36499

Properties

Computed structural properties

Topological polar surface area: 28 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 33
Formal charge: 0
Complexity: 595

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Compound notes

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