2-n-Propylquinoline
AlkaPlorer ID: AK016938
Synonym: None
IUPAC Name: 2-propylquinoline
Structure
SMILES: CCCC1=CC=C2C=CC=CC2=N1
InChI: InChI=1S/C12H13N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13-11/h3-4,6-9H,2,5H2,1H3
InChIKey: IZXJPGLOYYDHRM-UHFFFAOYSA-N
Reference
Molluscicidal quinoline alkaloids from Galipea bracteata
PubChem CID: 74166
CAS: 1613-32-7
LOTUS: LTS0017672
SuperNatural Ⅲ: SN0159771
COCONUT: CNP0276038
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Angostura bracteata | Angostura | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 171.24299999999997
TPSA？: 12.89
MolLogP？: 3.1873000000000014
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | CC50 | 125580.0 | nM | 10.1016/j.ejmech.2013.08.028 |
| Homo sapiens | Liver microsomes | Drug metabolism | 98.0 | % | 10.1016/j.ejmech.2013.08.028 |
| Human T-cell leukemia virus type I | Human T-cell leukemia virus type I | Inhibition | 0.0 | % | 10.1016/s0960-894x(02)01085-5 |
| Leishmania braziliensis | Leishmania braziliensis | IC90 | 20.0 | ug.mL-1 | 10.1016/j.bmc.2020.115973 |
| Leishmania braziliensis | Leishmania braziliensis | IC90 | 50.0 | ug.mL-1 | 10.1021/np50099a013 |
| Leishmania donovani | Leishmania donovani | IC50 | 100000.0 | nM | 10.1016/j.ejmech.2013.08.028 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC90 | 50.0 | ug.mL-1 | 10.1021/np50099a013 |
| None | ADMET | Drug metabolism | 100.0 | % | 10.1016/j.ejmech.2013.08.028 |
| None | No relevant target | Solubility | 100000.0 | ug.mL-1 | 10.1016/j.ejmech.2013.08.028 |
| None | Unchecked | Ratio CC50/IC50 | 1.25 | None | 10.1016/j.ejmech.2013.08.028 |