2-phenyl-N-[(Z)-(4-phenylphenyl)methylideneamino]quinoline-4-carboxamide
Formula:C29H21N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-phenyl-N-[(Z)-(4-phenylphenyl)methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-phenyl-N-[(Z)-(4-phenylphenyl)methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C29H21N3O |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C29H21N3O/c33-29(32-30-20-21-15-17-23(18-16-21)22-9-3-1-4-10-22)26-19-28(24-11-5-2-6-12-24)31-27-14-8-7-13-25(26)27/h1-20H,(H,32,33) |
| InChIK | IFQLMFLYCDVHLQ-UHFFFAOYSA-N |
| TotalMolweight | 427.506 |
| Molweight | 427.506 |
| MonoisotopicMass | 427.168462 |
| CLogP | 6.927 |
| CLogS | -8.291 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 339.87 |
| Relative PSA | 0.13823 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.4687 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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