Quinoline, 2-(1-methyl-1H-imidazol-5-yl)-

Details

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Internal ID 19433440-e9c4-47c1-9b6d-715fed86d7a9
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives
IUPAC Name 2-(3-methylimidazol-4-yl)quinoline
SMILES (Canonical) CN1C=NC=C1C2=NC3=CC=CC=C3C=C2
SMILES (Isomeric) CN1C=NC=C1C2=NC3=CC=CC=C3C=C2
InChI InChI=1S/C13H11N3/c1-16-9-14-8-13(16)12-7-6-10-4-2-3-5-11(10)15-12/h2-9H,1H3
InChI Key MAJBLSDHYUPQQD-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H11N3
Molecular Weight 209.25 g/mol
Exact Mass 209.095297364 g/mol
Topological Polar Surface Area (TPSA) 30.70 Ų
XlogP 2.00

Synonyms

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2552-97-8
Quinoline, 2-(1-methyl-1H-imidazol-5-yl)-
Quinoline, 2-(1-methylimidazol-5-yl)-
2-(3-methylimidazol-4-yl)quinoline
Isomacroin
2-(1-Methyl-1H-imidazol-5-yl)quinoline
2-(1-Methyl-1H-imidazol-5-yl)-quinoline
DTXSID30180223
MAJBLSDHYUPQQD-UHFFFAOYSA-N
2-(1-Methyl-1H-imidazol-5-yl)quinoline #

2D Structure

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2D Structure of Quinoline, 2-(1-methyl-1H-imidazol-5-yl)-

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.96% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.63% 96.09%
CHEMBL2581 P07339 Cathepsin D 88.68% 98.95%
CHEMBL2094108 P49354 Protein farnesyltransferase 86.08% 97.92%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.89% 94.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 84.41% 93.65%
CHEMBL3959 P16083 Quinone reductase 2 84.19% 89.49%
CHEMBL221 P23219 Cyclooxygenase-1 83.85% 90.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.97% 95.56%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 82.73% 100.00%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 82.35% 80.78%
CHEMBL4158 P49327 Fatty acid synthase 81.64% 82.50%
CHEMBL2094121 P14867 GABA-A receptor; alpha-1/beta-3/gamma-2 81.39% 95.50%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 81.37% 93.10%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.07% 96.00%
CHEMBL3401 O75469 Pregnane X receptor 80.85% 94.73%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 80.56% 85.49%
CHEMBL5805 Q9NR97 Toll-like receptor 8 80.23% 96.25%
CHEMBL3524 P56524 Histone deacetylase 4 80.18% 92.97%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 75701
LOTUS LTS0220136
wikiData Q83050760