(6-chloro-2-pyridin-2-ylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C28H25N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6-chloro-2-pyridin-2-ylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is not a drug-like molecule.
| MolName | (6-chloro-2-pyridin-2-ylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C28H25N4OCl |
| Smiles | O=C(c1c(cc(cc2)Cl)c2nc(-c2ncccc2)c1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C28H25ClN4O/c29-22-11-12-25-23(19-22)24(20-27(31-25)26-10-4-5-13-30-26)28(34)33-17-15-32(16-18-33)14-6-9-21-7-2-1-3-8-21/h1-13,19-20H,14-18H2 |
| InChIK | OGLSKLUYPFZCKX-UHFFFAOYSA-N |
| TotalMolweight | 468.987 |
| Molweight | 468.987 |
| MonoisotopicMass | 468.171688 |
| CLogP | 5.3849 |
| CLogS | -4.785 |
| H Acceptors | 5 |
| TotalSurfaceArea | 360.47 |
| Relative PSA | 0.11674 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | 8.0951 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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 | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (6-chloro-2-pyridin-2-ylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone | 2 - (6-chloro-2-pyridin-2-ylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
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