C22H16ClN3O3 — CID 51367152
2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide (PubChem CID 51367152) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide.
| Compound Name | 2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide |
|---|---|
| PubChem CID | 51367152 |
| Molecular Formula | C22H16ClN3O3 |
| Molecular Weight | 405.84 g/mol |
| Exact Mass | 405.09 |
| IUPAC Name | 2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide |
| SMILES | COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccccc3Cl)oc12 |
| InChI | InChI=1S/C22H16ClN3O3/c1-28-18-10-6-7-14-13-15(21(27)26-19-11-4-5-12-24-19)22(29-20(14)18)25-17-9-3-2-8-16(17)23/h2-13H,1H3,(H,24,26,27)/b25-22- |
| InChIKey | GQQQXBQTTNSSRS-LVWGJNHUSA-N |
| XLogP | 4.97 |
| TPSA | 76.72 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 29 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 405.84 |
| LogP ≤ 5 | 4.97 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |