7-chloro-N-[(Z)-3-phenylpropylideneamino]quinolin-4-amine
Formula:C18H16N3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(Z)-3-phenylpropylideneamino]quinolin-4-amine is not a drug-like molecule.
| MolName | 7-chloro-N-[(Z)-3-phenylpropylideneamino]quinolin-4-amine |
| MolecularFormula | C18H16N3Cl |
| Smiles | Clc1cc2nccc(N/N=C\CCc3ccccc3)c2cc1 |
| InChI | InChI=1S/C18H16ClN3/c19-15-8-9-16-17(10-12-20-18(16)13-15)22-21-11-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-13H,4,7H2,(H,20,22) |
| InChIK | QFTOBSUDXAOSMZ-UHFFFAOYSA-N |
| TotalMolweight | 309.799 |
| Molweight | 309.799 |
| MonoisotopicMass | 309.103274 |
| CLogP | 5.9045 |
| CLogS | -4.748 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 245.54 |
| Relative PSA | 0.13823 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 1.1115 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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