N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
Formula:C34H25N5O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide |
| MolecularFormula | C34H25N5O |
| Smiles | O=C(c1cc(-c2ncccc2)nc2ccccc12)N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C34H25N5O/c40-34(30-23-33(32-17-9-10-22-35-32)37-31-16-8-7-15-29(30)31)38-36-24-25-18-20-28(21-19-25)39(26-11-3-1-4-12-26)27-13-5-2-6-14-27/h1-24H,(H,38,40) |
| InChIK | AIUYNMTXOJZFAS-UHFFFAOYSA-N |
| TotalMolweight | 519.606 |
| Molweight | 519.606 |
| MonoisotopicMass | 519.20591 |
| CLogP | 6.9523 |
| CLogS | -9.278 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 408.69 |
| Relative PSA | 0.15048 |
| PolarSurfaceArea | 70.48 |
| Druglikeness | 5.0762 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 34 |
| Symmetricatoms | 10 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide | 2 - N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
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