N-[(Z)-naphthalen-1-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide
Formula:C21H15N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide |
| MolecularFormula | C21H15N3O2 |
| Smiles | O=C(C(c(cccc1)c1N1)=CC1=O)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C21H15N3O2/c25-20-12-18(17-10-3-4-11-19(17)23-20)21(26)24-22-13-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H,23,25)(H,24,26) |
| InChIK | ASKBCYQWRHDDOH-UHFFFAOYSA-N |
| TotalMolweight | 341.369 |
| Molweight | 341.369 |
| MonoisotopicMass | 341.116427 |
| CLogP | 3.0003 |
| CLogS | -5.314 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 262.01 |
| Relative PSA | 0.23095 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.3044 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-naphthalen-1-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide | 2 - N-[(Z)-naphthalen-1-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off