6-bromo-N-[(Z)-furan-2-ylmethylideneamino]-4-phenylquinolin-2-amine
Formula:C20H14N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-bromo-N-[(Z)-furan-2-ylmethylideneamino]-4-phenylquinolin-2-amine is not a drug-like molecule.
| MolName | 6-bromo-N-[(Z)-furan-2-ylmethylideneamino]-4-phenylquinolin-2-amine |
| MolecularFormula | C20H14N3OBr |
| Smiles | Brc(ccc1nc(N/N=C\c2ccco2)c2)cc1c2-c1ccccc1 |
| InChI | InChI=1S/C20H14BrN3O/c21-15-8-9-19-18(11-15)17(14-5-2-1-3-6-14)12-20(23-19)24-22-13-16-7-4-10-25-16/h1-13H,(H,23,24) |
| InChIK | GFBIBLNKJMLQDX-UHFFFAOYSA-N |
| TotalMolweight | 392.255 |
| Molweight | 392.255 |
| MonoisotopicMass | 391.032023 |
| CLogP | 7.0814 |
| CLogS | -6.982 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 270.68 |
| Relative PSA | 0.17752 |
| PolarSurfaceArea | 50.42 |
| Druglikeness | 0.041202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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