N-[(Z)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboxamide
Formula:C26H20N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C26H20N4O |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C26H20N4O/c31-26(24-15-14-20-10-4-6-12-23(20)28-24)29-27-16-21-18-30(17-19-8-2-1-3-9-19)25-13-7-5-11-22(21)25/h1-16,18H,17H2,(H,29,31) |
| InChIK | HCBDTDAQINKKQQ-UHFFFAOYSA-N |
| TotalMolweight | 404.472 |
| Molweight | 404.472 |
| MonoisotopicMass | 404.163711 |
| CLogP | 5.1013 |
| CLogS | -5.429 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 317.67 |
| Relative PSA | 0.16952 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.1517 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboxamide | 2 - N-[(Z)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off