2,6-Dimethylquinoline
AlkaPlorer ID: AK000267
Synonym: None
IUPAC Name: 2,6-dimethylquinoline
Structure
SMILES: CC1=CC2=C(C=C1)N=C(C=C2)C
InChI: InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3
InChIKey: JJPSZKIOGBRMHK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 157.216
TPSA？: 12.89
MolLogP？: 2.8516400000000006
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 1A2 | IC50 | 3300.0 | nM | 10.1021/jm0489713 |
| Homo sapiens | Cytochrome P450 2A6 | IC50 | 279898.13 | nM | 10.1016/j.ejmech.2008.11.010 |
| Homo sapiens | Cytochrome P450 2A6 | IC50 | 280000.0 | nM | 10.1021/jm049536b |
| Mus musculus | Cytochrome P450 2A5 | IC50 | 39994.47 | nM | 10.1016/j.ejmech.2008.11.010 |
| Mus musculus | Cytochrome P450 2A5 | IC50 | 40000.0 | nM | 10.1021/jm049536b |
| None | ADMET | Ratio | 7.0 | None | 10.1021/jm049536b |