N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine
Formula:C20H14N3OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine |
| MolecularFormula | C20H14N3OBr |
| Smiles | Brc(cc1)ccc1-c1ccc(/C=N\Nc2cccc3cccnc23)o1 |
| InChI | InChI=1S/C20H14BrN3O/c21-16-8-6-14(7-9-16)19-11-10-17(25-19)13-23-24-18-5-1-3-15-4-2-12-22-20(15)18/h1-13,24H |
| InChIK | ULTGZHXNLQZASS-UHFFFAOYSA-N |
| TotalMolweight | 392.255 |
| Molweight | 392.255 |
| MonoisotopicMass | 391.032023 |
| CLogP | 6.821 |
| CLogS | -6.149 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 270.68 |
| Relative PSA | 0.17752 |
| PolarSurfaceArea | 50.42 |
| Druglikeness | 2.5845 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| 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 |
| StereoCon |
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