N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-7-chloroquinolin-4-amine
Formula:C20H19N4Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-7-chloroquinolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-7-chloroquinolin-4-amine |
| MolecularFormula | C20H19N4Cl3 |
| Smiles | ClCCN(CCCl)c1ccc(/C=N\Nc2c(ccc(Cl)c3)c3ncc2)cc1 |
| InChI | InChI=1S/C20H19Cl3N4/c21-8-11-27(12-9-22)17-4-1-15(2-5-17)14-25-26-19-7-10-24-20-13-16(23)3-6-18(19)20/h1-7,10,13-14H,8-9,11-12H2,(H,24,26) |
| InChIK | FOMASLNRGGCNQQ-UHFFFAOYSA-N |
| TotalMolweight | 421.758 |
| Molweight | 421.758 |
| MonoisotopicMass | 420.067527 |
| CLogP | 6.9305 |
| CLogS | -6.029 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 314.2 |
| Relative PSA | 0.11932 |
| PolarSurfaceArea | 40.52 |
| Druglikeness | 5.7789 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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