N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C24H17N3O2F2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C24H17N3O2F2 |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C24H17F2N3O2/c25-24(26)31-18-12-10-16(11-13-18)15-27-29-23(30)20-14-22(17-6-2-1-3-7-17)28-21-9-5-4-8-19(20)21/h1-15,24H,(H,29,30) |
| InChIK | QCYXATBTVXIKOW-UHFFFAOYSA-N |
| TotalMolweight | 417.414 |
| Molweight | 417.414 |
| MonoisotopicMass | 417.128883 |
| CLogP | 5.4372 |
| CLogS | -6.827 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 315.31 |
| Relative PSA | 0.18071 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 1.5305 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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