2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-quinolin-6-ylmethylideneamino]acetamide
Formula:C33H23N4O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-quinolin-6-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-quinolin-6-ylmethylideneamino]acetamide |
| MolecularFormula | C33H23N4O2Br |
| Smiles | O=C(COc(cc1)ccc1-c1cc(-c2ccccc2)c(cc(cc2)Br)c2n1)N/N=C\c1cc2cccnc2cc1 |
| InChI | InChI=1S/C33H23BrN4O2/c34-26-11-15-31-29(18-26)28(23-5-2-1-3-6-23)19-32(37-31)24-9-12-27(13-10-24)40-21-33(39)38-36-20-22-8-14-30-25(17-22)7-4-16-35-30/h1-20H,21H2,(H,38,39) |
| InChIK | JSBVYIHPSBZODS-UHFFFAOYSA-N |
| TotalMolweight | 587.476 |
| Molweight | 587.476 |
| MonoisotopicMass | 586.100437 |
| CLogP | 7.5431 |
| CLogS | -9.611 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 415.62 |
| Relative PSA | 0.16349 |
| PolarSurfaceArea | 76.47 |
| Druglikeness | 2.4066 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.575 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 32 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-quinolin-6-ylmethylideneamino]acetamide | 2 - 2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-quinolin-6-ylmethylideneamino]acetamide
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