[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone
Formula:C29H27N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone is not a drug-like molecule.
| MolName | [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone |
| MolecularFormula | C29H27N3O |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C29H27N3O/c33-29(32-20-18-31(19-21-32)17-9-12-23-10-3-1-4-11-23)26-22-28(24-13-5-2-6-14-24)30-27-16-8-7-15-25(26)27/h1-16,22H,17-21H2 |
| InChIK | SRUVZJHIRTXTPI-UHFFFAOYSA-N |
| TotalMolweight | 433.553 |
| Molweight | 433.553 |
| MonoisotopicMass | 433.215412 |
| CLogP | 5.6888 |
| CLogS | -5.152 |
| H Acceptors | 4 |
| TotalSurfaceArea | 346.29 |
| Relative PSA | 0.089838 |
| PolarSurfaceArea | 36.44 |
| Druglikeness | 8.0987 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| 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 | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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