2-cyclopropyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]quinoline-4-carboxamide
Formula:C26H21N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-cyclopropyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-cyclopropyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C26H21N3O2 |
| Smiles | O=C(c1cc(C2CC2)nc2ccccc12)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C26H21N3O2/c30-26(23-16-25(19-13-14-19)28-24-12-5-4-11-22(23)24)29-27-17-18-7-6-10-21(15-18)31-20-8-2-1-3-9-20/h1-12,15-17,19H,13-14H2,(H,29,30) |
| InChIK | TWJVMMOSPCURKR-UHFFFAOYSA-N |
| TotalMolweight | 407.472 |
| Molweight | 407.472 |
| MonoisotopicMass | 407.163377 |
| CLogP | 6.078 |
| CLogS | -7.705 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 316.63 |
| Relative PSA | 0.17996 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.9913 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-cyclopropyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]quinoline-4-carboxamide | 2 - 2-cyclopropyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]quinoline-4-carboxamide
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