N-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-phenylprop-2-enyl]pyridine-3-carboxamide
Formula:C24H18N3O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-phenylprop-2-enyl]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-phenylprop-2-enyl]pyridine-3-carboxamide |
| MolecularFormula | C24H18N3O2Cl |
| Smiles | Oc(c1ncccc11)c(C(/C=C/c2ccccc2)NC(c2cnccc2)=O)cc1Cl |
| InChI | InChI=1S/C24H18ClN3O2/c25-20-14-19(23(29)22-18(20)9-5-13-27-22)21(11-10-16-6-2-1-3-7-16)28-24(30)17-8-4-12-26-15-17/h1-15,21,29H,(H,28,30)/t21-/m0/s1 |
| InChIK | DNWWISUCAIECOI-NRFANRHFSA-N |
| TotalMolweight | 415.879 |
| Molweight | 415.879 |
| MonoisotopicMass | 415.108754 |
| CLogP | 4.1516 |
| CLogS | -4.906 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 314.88 |
| Relative PSA | 0.18909 |
| PolarSurfaceArea | 75.11 |
| Druglikeness | 1.7759 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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