N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
Formula:C22H15N3O3F2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide |
| MolecularFormula | C22H15N3O3F2 |
| Smiles | O=C(c1cc(-c2ccco2)nc2ccccc12)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C22H15F2N3O3/c23-22(24)30-15-9-7-14(8-10-15)13-25-27-21(28)17-12-19(20-6-3-11-29-20)26-18-5-2-1-4-16(17)18/h1-13,22H,(H,27,28) |
| InChIK | UKEQHYBDWXSBHV-UHFFFAOYSA-N |
| TotalMolweight | 407.375 |
| Molweight | 407.375 |
| MonoisotopicMass | 407.108148 |
| CLogP | 4.6629 |
| CLogS | -6.177 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 305 |
| Relative PSA | 0.23308 |
| PolarSurfaceArea | 76.72 |
| Druglikeness | 1.3432 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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