N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-7-chloroquinolin-4-amine
Formula:C17H12N3O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-7-chloroquinolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-7-chloroquinolin-4-amine |
| MolecularFormula | C17H12N3O2Cl |
| Smiles | Clc1cc2nccc(N/N=C\c(cc3)cc4c3OCO4)c2cc1 |
| InChI | InChI=1S/C17H12ClN3O2/c18-12-2-3-13-14(5-6-19-15(13)8-12)21-20-9-11-1-4-16-17(7-11)23-10-22-16/h1-9H,10H2,(H,19,21) |
| InChIK | BPBIPPQSKQHMNZ-UHFFFAOYSA-N |
| TotalMolweight | 325.754 |
| Molweight | 325.754 |
| MonoisotopicMass | 325.061804 |
| CLogP | 5.8743 |
| CLogS | -5.302 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 238.28 |
| Relative PSA | 0.22637 |
| PolarSurfaceArea | 55.74 |
| Druglikeness | 1.9387 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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