N'-[(Z)-[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]isoquinolin-4-ylidene]methyl]-2-pyridin-3-ylquinoline-4-carbohydrazide
Formula:C32H20N5O3F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N'-[(Z)-[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]isoquinolin-4-ylidene]methyl]-2-pyridin-3-ylquinoline-4-carbohydrazide is not a drug-like molecule.
| MolName | N'-[(Z)-[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]isoquinolin-4-ylidene]methyl]-2-pyridin-3-ylquinoline-4-carbohydrazide |
| MolecularFormula | C32H20N5O3F3 |
| Smiles | O=C(c1cc(-c2cnccc2)nc2ccccc12)NN/C=C(/c(cccc1)c1C(N1c2c(C(F)(F)F)cccc2)=O)\C1=O |
| InChI | InChI=1S/C32H20F3N5O3/c33-32(34,35)25-12-4-6-14-28(25)40-30(42)22-11-2-1-9-20(22)24(31(40)43)18-37-39-29(41)23-16-27(19-8-7-15-36-17-19)38-26-13-5-3-10-21(23)26/h1-18,37H,(H,39,41) |
| InChIK | DQEQENFTUXTXIG-UHFFFAOYSA-N |
| TotalMolweight | 579.537 |
| Molweight | 579.537 |
| MonoisotopicMass | 579.151824 |
| CLogP | 3.8693 |
| CLogS | -7.392 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 411.8 |
| Relative PSA | 0.21255 |
| PolarSurfaceArea | 104.29 |
| Druglikeness | -3.2135 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4186 |
| Fragments | 1 |
| Non HAtoms | 43 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]isoquinolin-4-ylidene]methyl]-2-pyridin-3-ylquinoline-4-carbohydrazide | 2 - N'-[(Z)-[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]isoquinolin-4-ylidene]methyl]-2-pyridin-3-ylquinoline-4-carbohydrazide
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