N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
Formula:C29H21N3O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide |
| MolecularFormula | C29H21N3O3Cl2 |
| Smiles | O=C(COc1cccc2cccnc12)N/N=C\c(c1ccccc1cc1)c1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C29H21Cl2N3O3/c30-22-12-10-21(25(31)15-22)17-36-26-13-11-19-5-1-2-8-23(19)24(26)16-33-34-28(35)18-37-27-9-3-6-20-7-4-14-32-29(20)27/h1-16H,17-18H2,(H,34,35) |
| InChIK | SPYGAEBULFFYEW-UHFFFAOYSA-N |
| TotalMolweight | 530.41 |
| Molweight | 530.41 |
| MonoisotopicMass | 529.095996 |
| CLogP | 6.847 |
| CLogS | -8.626 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 393.07 |
| Relative PSA | 0.1704 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 4.2278 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide | 2 - N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
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