(Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]methanimine
Formula:C27H25N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]methanimine is not a drug-like molecule.
| MolName | (Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]methanimine |
| MolecularFormula | C27H25N4OCl |
| Smiles | Clc1nc2ccccc2cc1/C=N\N=C/C(CC/C1=C/c2ccccc2)=C1N1CCOCC1 |
| InChI | InChI=1S/C27H25ClN4O/c28-27-24(17-21-8-4-5-9-25(21)31-27)19-30-29-18-23-11-10-22(16-20-6-2-1-3-7-20)26(23)32-12-14-33-15-13-32/h1-9,16-19H,10-15H2 |
| InChIK | BIINVGDSXOTBBJ-UHFFFAOYSA-N |
| TotalMolweight | 456.976 |
| Molweight | 456.976 |
| MonoisotopicMass | 456.171688 |
| CLogP | 6.3845 |
| CLogS | -5.903 |
| H Acceptors | 5 |
| TotalSurfaceArea | 354.81 |
| Relative PSA | 0.13399 |
| PolarSurfaceArea | 50.08 |
| Druglikeness | 2.844 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]methanimine | 2 - (Z)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]methanimine
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