N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C21H14N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C21H14N3O2Br |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c(o1)ccc1Br |
| InChI | InChI=1S/C21H14BrN3O2/c22-20-11-10-15(27-20)13-23-25-21(26)17-12-19(14-6-2-1-3-7-14)24-18-9-5-4-8-16(17)18/h1-13H,(H,25,26) |
| InChIK | VDVDQNKLBIEVMS-UHFFFAOYSA-N |
| TotalMolweight | 420.265 |
| Molweight | 420.265 |
| MonoisotopicMass | 419.026938 |
| CLogP | 5.2791 |
| CLogS | -6.484 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 288.43 |
| Relative PSA | 0.2118 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 3.1683 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-phenylquinoline-4-carboxamide | 2 - N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-phenylquinoline-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off