N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-chloro-4-phenylquinolin-2-amine
Formula:C23H16N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-chloro-4-phenylquinolin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-chloro-4-phenylquinolin-2-amine |
| MolecularFormula | C23H16N3O2Cl |
| Smiles | Clc(ccc1nc(N/N=C\c(cc2)cc3c2OCO3)c2)cc1c2-c1ccccc1 |
| InChI | InChI=1S/C23H16ClN3O2/c24-17-7-8-20-19(11-17)18(16-4-2-1-3-5-16)12-23(26-20)27-25-13-15-6-9-21-22(10-15)29-14-28-21/h1-13H,14H2,(H,26,27) |
| InChIK | IOEQZTBSFHQGLI-UHFFFAOYSA-N |
| TotalMolweight | 401.852 |
| Molweight | 401.852 |
| MonoisotopicMass | 401.093104 |
| CLogP | 7.8849 |
| CLogS | -7.913 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 298.04 |
| Relative PSA | 0.18098 |
| PolarSurfaceArea | 55.74 |
| Druglikeness | 1.9387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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