Basic information
- CAS
2552-97-8- Standard SMILES
Cn1cncc1-c1ccc2ccccc2n1- InChIKey
MAJBLSDHYUPQQD-UHFFFAOYSA-N- Molecular formula
- C13H11N3
- Average molar mass
- 209.25 g/mol
- Monoisotopic mass
- 209.09529736
Names & identifiers
- Preferred name
- Quinoline, 2-(1-methyl-1H-imidazol-5-yl)-
- IUPAC
- 2-(3-methylimidazol-4-yl)quinoline
- English name
- 2-(3-Methyl-3H-imidazole-4-yl)quinoline
- Molecular formula
- C13H11N3
- Molecular weight
- 209.25
Names & synonyms
Isomacrorine2552-97-8IsomacroinQuinoline, 2-(1-methyl-1H-imidazol-5-yl)-Quinoline, 2-(1-methylimidazol-5-yl)-2-(1-Methyl-1H-imidazol-5-yl)-quinolineDTXSID30180223RefChem:178244DTXCID40102714MAJBLSDHYUPQQD-UHFFFAOYSA-N2-(1-Methyl-1H-imidazol-5-yl)quinoline2-(3-Methyl-3H-imidazole-4-yl)quinoline
Show more names
SCHEMBL298091802-(1-Methyl-1H-imidazol-5-yl)quinoline #
Database identifiers
- CAS
2552-97-8- PubChem CID
- 75701
- DTXSID
DTXSID30180223- Nikkaji
- J101.804C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 110 °C · 110°C
Chemistry & industry
Applications
DescriptionAn imidazoylquinoline alkaloid, this base occurs in Macrorungia longistrobus C.B. Cl. It may be crystallized from Me2CO-hexane as colourless needles. In neutral solution (EtOH) the ultraviolet spectrum exhibits absorption maxima at 214,235,279,328 and 342 mJ1; while in acid solution (EtOH-HCl), the absorp_x0002_tion maxima occur at 218, 252, 292, 319 and 334 mJ1. The alkaloid has been characterized as the crystalline perchlorate with m.p. 209°C (dec.). The methiodide is identical with macrorine methiodide, m.p. 196°C (dec.). The structure has been determined from chemical degradation and spectroscopic analysis as l' -methyl-2: 5' -( 1 'H-imidazoyl)quinoline.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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