N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
Formula:C23H16N4O2F2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide |
| MolecularFormula | C23H16N4O2F2 |
| Smiles | O=C(c1cc(-c2ccncc2)nc2ccccc12)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C23H16F2N4O2/c24-23(25)31-21-8-4-1-5-16(21)14-27-29-22(30)18-13-20(15-9-11-26-12-10-15)28-19-7-3-2-6-17(18)19/h1-14,23H,(H,29,30) |
| InChIK | LMBCKTWZRNYDAM-UHFFFAOYSA-N |
| TotalMolweight | 418.402 |
| Molweight | 418.402 |
| MonoisotopicMass | 418.124132 |
| CLogP | 4.4363 |
| CLogS | -6.032 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 314.07 |
| Relative PSA | 0.21635 |
| PolarSurfaceArea | 76.47 |
| Druglikeness | 1.5305 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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