N-[(Z)-pyridin-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
Formula:C20H14N4OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-pyridin-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide |
| MolecularFormula | C20H14N4OS |
| Smiles | O=C(c1cc(-c2cccs2)nc2ccccc12)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C20H14N4OS/c25-20(24-22-13-14-5-3-9-21-12-14)16-11-18(19-8-4-10-26-19)23-17-7-2-1-6-15(16)17/h1-13H,(H,24,25) |
| InChIK | MHSMZODRCUAHKD-UHFFFAOYSA-N |
| TotalMolweight | 358.424 |
| Molweight | 358.424 |
| MonoisotopicMass | 358.088831 |
| CLogP | 4.2904 |
| CLogS | -5.331 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 274.81 |
| Relative PSA | 0.28496 |
| PolarSurfaceArea | 95.48 |
| Druglikeness | 5.979 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-pyridin-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide | 2 - N-[(Z)-pyridin-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off