N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide
Formula:C24H18N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C24H18N3O2Br |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c(cccc1)c1OCc1cccc(Br)c1 |
| InChI | InChI=1S/C24H18BrN3O2/c25-20-9-5-6-17(14-20)16-30-23-11-4-2-8-19(23)15-26-28-24(29)22-13-12-18-7-1-3-10-21(18)27-22/h1-15H,16H2,(H,28,29) |
| InChIK | CVLUBCSPISVOON-UHFFFAOYSA-N |
| TotalMolweight | 460.33 |
| Molweight | 460.33 |
| MonoisotopicMass | 459.058238 |
| CLogP | 5.6449 |
| CLogS | -6.626 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 322.5 |
| Relative PSA | 0.17668 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.2305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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