2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
Formula:C30H21N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C30H21N4O4Cl |
| Smiles | [O-][N+](c1cccc(/C=N\NC(COc(cc2)ccc2-c2cc(-c3ccccc3)c(cc(cc3)Cl)c3n2)=O)c1)=O |
| InChI | InChI=1S/C30H21ClN4O4/c31-23-11-14-28-27(16-23)26(21-6-2-1-3-7-21)17-29(33-28)22-9-12-25(13-10-22)39-19-30(36)34-32-18-20-5-4-8-24(15-20)35(37)38/h1-18H,19H2,(H,34,36) |
| InChIK | YJLIPTGBVYBNQH-UHFFFAOYSA-N |
| TotalMolweight | 536.974 |
| Molweight | 536.974 |
| MonoisotopicMass | 536.125133 |
| CLogP | 6.1863 |
| CLogS | -9.267 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 402.72 |
| Relative PSA | 0.21702 |
| PolarSurfaceArea | 109.4 |
| Druglikeness | -0.88926 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5641 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide | 2 - 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
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