N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
Formula:C24H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide |
| MolecularFormula | C24H19N3O3 |
| Smiles | Oc1cccc(/C=N\NC(c2ccc(COc3cccc4cccnc34)cc2)=O)c1 |
| InChI | InChI=1S/C24H19N3O3/c28-21-7-1-4-18(14-21)15-26-27-24(29)20-11-9-17(10-12-20)16-30-22-8-2-5-19-6-3-13-25-23(19)22/h1-15,28H,16H2,(H,27,29) |
| InChIK | MQTRFMUMJAPFEP-UHFFFAOYSA-N |
| TotalMolweight | 397.433 |
| Molweight | 397.433 |
| MonoisotopicMass | 397.142642 |
| CLogP | 4.52 |
| CLogS | -5.472 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 310.22 |
| Relative PSA | 0.2259 |
| PolarSurfaceArea | 83.81 |
| Druglikeness | 4.0044 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| 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 | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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