EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H15N3O2 |
| Net Charge | 0 |
| Average Mass | 305.337 |
| Monoisotopic Mass | 305.11643 |
| SMILES | COc1cccc(Nc2nc3cc(OC)ccc3cc2C#N)c1 |
| InChI | InChI=1S/C18H15N3O2/c1-22-15-5-3-4-14(9-15)20-18-13(11-19)8-12-6-7-16(23-2)10-17(12)21-18/h3-10H,1-2H3,(H,20,21) |
| InChIKey | FALPIUAALRVQIS-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-methoxy-2-(3-methoxyanilino)-3-quinolinecarbonitrile (CHEBI:121604) is a aminoquinoline (CHEBI:36709) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33047 | LINCS |