N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C29H21N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C29H21N3O2 |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C29H21N3O2/c33-29(32-30-20-21-10-9-15-24(18-21)34-23-13-5-2-6-14-23)26-19-28(22-11-3-1-4-12-22)31-27-17-8-7-16-25(26)27/h1-20H,(H,32,33) |
| InChIK | TZIJZAKDRGBONF-UHFFFAOYSA-N |
| TotalMolweight | 443.505 |
| Molweight | 443.505 |
| MonoisotopicMass | 443.163377 |
| CLogP | 6.6634 |
| CLogS | -8.502 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 349.87 |
| Relative PSA | 0.16286 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.3193 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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