N-[(Z)-(2-nitrophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
Formula:C22H15N5O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-nitrophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide |
| MolecularFormula | C22H15N5O3 |
| Smiles | [O-][N+](c1c(/C=N\NC(c2cc(-c3cnccc3)nc3ccccc23)=O)cccc1)=O |
| InChI | InChI=1S/C22H15N5O3/c28-22(26-24-14-16-6-1-4-10-21(16)27(29)30)18-12-20(15-7-5-11-23-13-15)25-19-9-3-2-8-17(18)19/h1-14H,(H,26,28) |
| InChIK | QOVJKSMDIIOZRT-UHFFFAOYSA-N |
| TotalMolweight | 397.393 |
| Molweight | 397.393 |
| MonoisotopicMass | 397.11749 |
| CLogP | 3.3453 |
| CLogS | -5.87 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 302.54 |
| Relative PSA | 0.29209 |
| PolarSurfaceArea | 113.06 |
| Druglikeness | -0.75305 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-nitrophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide | 2 - N-[(Z)-(2-nitrophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off