Quinolinium, 1-ethyl-2-[[1-(3-hydroxypropyl)-2(1H)-quinolinylidene]methyl]-, iodide (1:1)

HCID 112613

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Basic information

CAS: 63149-21-3
Standard SMILES: CCN1C(=Cc2ccc3ccccc3[n+]2CCCO)C=Cc2ccccc21.[I-]
InChIKey: CQDMOEISAMNXQV-UHFFFAOYSA-M
Molecular formula: C24H25IN2O
Average molar mass: 484.4 g/mol
Monoisotopic mass: 484.10116

Names & identifiers

Preferred name: Quinolinium, 1-ethyl-2-[[1-(3-hydroxypropyl)-2(1H)-quinolinylidene]methyl]-, iodide (1:1)
IUPAC: 3-[2-[(1-ethylquinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]propan-1-ol iodide

Names & synonyms

Quinolinium, 1-ethyl-2-((1-(3-hydroxypropyl)-2(1H)-quinolinylidene)methyl)-, iodide63149-21-3Quinolinium, 1-ethyl-2-((1-(3-hydroxypropyl)-2(1H)-quinolinylidene)methyl)-, iodide (1:1)Quinolinium, 1-ethyl-2-[[1-(3-hydroxypropyl)-2(1H)-quinolinylidene]methyl]-, iodideDTXSID30886551Quinolinium, 1-ethyl-2-[[1-(3-hydroxypropyl)-2(1H)-quinolinylidene]methyl]-, iodide (1:1)RefChem:178274DTXCID401025875CQDMOEISAMNXQV-UHFFFAOYSA-M

Database identifiers

CAS: 63149-21-3
PubChem CID: 112613

Properties

Computed structural properties

Topological polar surface area: 27.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 542

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationQuinolinium, 1-ethyl-2-[[1-(3-hydroxypropyl)-2(1H)-quinolinylidene]methyl]-, iodide (1:1): INACTIVE

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