N-[(Z)-(3-oxocyclohexylidene)amino]-2-pyridin-3-ylquinoline-4-carboxamide
Formula:C21H18N4O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3-oxocyclohexylidene)amino]-2-pyridin-3-ylquinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-oxocyclohexylidene)amino]-2-pyridin-3-ylquinoline-4-carboxamide |
| MolecularFormula | C21H18N4O2 |
| Smiles | O=C(c1cc(-c2cnccc2)nc2ccccc12)N/N=C(/CCC1)\CC1=O |
| InChI | InChI=1S/C21H18N4O2/c26-16-7-3-6-15(11-16)24-25-21(27)18-12-20(14-5-4-10-22-13-14)23-19-9-2-1-8-17(18)19/h1-2,4-5,8-10,12-13H,3,6-7,11H2,(H,25,27) |
| InChIK | YBUODEJURUQUDZ-UHFFFAOYSA-N |
| TotalMolweight | 358.4 |
| Molweight | 358.4 |
| MonoisotopicMass | 358.142976 |
| CLogP | 3.3092 |
| CLogS | -4.924 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 276.61 |
| Relative PSA | 0.25664 |
| PolarSurfaceArea | 84.31 |
| Druglikeness | -1.0406 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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