(6-chloro-2-pyridin-3-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-3-ylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is not a drug-like molecule.
| MolName | (6-chloro-2-pyridin-3-ylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C28H25N4OCl |
| Smiles | O=C(c1c(cc(cc2)Cl)c2nc(-c2cnccc2)c1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C28H25ClN4O/c29-23-10-11-26-24(18-23)25(19-27(31-26)22-9-4-12-30-20-22)28(34)33-16-14-32(15-17-33)13-5-8-21-6-2-1-3-7-21/h1-12,18-20H,13-17H2 |
| InChIK | JXMIKTYPGBWRGI-UHFFFAOYSA-N |
| TotalMolweight | 468.987 |
| Molweight | 468.987 |
| MonoisotopicMass | 468.171688 |
| CLogP | 5.2939 |
| CLogS | -5.093 |
| 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-3-ylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone | 2 - (6-chloro-2-pyridin-3-ylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
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