2-phenyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
Formula:C30H23N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-phenyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-phenyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C30H23N3O2 |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C30H23N3O2/c34-30(27-19-29(24-13-5-2-6-14-24)32-28-17-8-7-16-26(27)28)33-31-20-23-12-9-15-25(18-23)35-21-22-10-3-1-4-11-22/h1-20H,21H2,(H,33,34) |
| InChIK | CFSQJOPJXNQWTP-UHFFFAOYSA-N |
| TotalMolweight | 457.532 |
| Molweight | 457.532 |
| MonoisotopicMass | 457.179027 |
| CLogP | 6.6159 |
| CLogS | -7.546 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 363.63 |
| Relative PSA | 0.1567 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.0205 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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