2-cyclopropyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
Formula:C27H23N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-cyclopropyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-cyclopropyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C27H23N3O2 |
| Smiles | O=C(c1cc(C2CC2)nc2ccccc12)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C27H23N3O2/c31-27(23-16-25(20-14-15-20)29-24-12-6-5-11-22(23)24)30-28-17-21-10-4-7-13-26(21)32-18-19-8-2-1-3-9-19/h1-13,16-17,20H,14-15,18H2,(H,30,31) |
| InChIK | OVOBUOMMTMMTEV-UHFFFAOYSA-N |
| TotalMolweight | 421.499 |
| Molweight | 421.499 |
| MonoisotopicMass | 421.179027 |
| CLogP | 6.0305 |
| CLogS | -6.749 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 330.39 |
| Relative PSA | 0.17246 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.7354 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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