[2-(2-chlorophenyl)quinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C29H26N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(2-chlorophenyl)quinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is not a drug-like molecule.
| MolName | [2-(2-chlorophenyl)quinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C29H26N3OCl |
| Smiles | O=C(c1cc(-c(cccc2)c2Cl)nc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C29H26ClN3O/c30-26-14-6-4-13-24(26)28-21-25(23-12-5-7-15-27(23)31-28)29(34)33-19-17-32(18-20-33)16-8-11-22-9-2-1-3-10-22/h1-15,21H,16-20H2 |
| InChIK | WTTRXYCADONXAX-UHFFFAOYSA-N |
| TotalMolweight | 467.998 |
| Molweight | 467.998 |
| MonoisotopicMass | 467.176439 |
| CLogP | 6.2948 |
| CLogS | -5.888 |
| H Acceptors | 4 |
| TotalSurfaceArea | 361.71 |
| Relative PSA | 0.086008 |
| PolarSurfaceArea | 36.44 |
| Druglikeness | 8.0951 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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