N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]quinolin-2-amine
Formula:C26H25N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]quinolin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]quinolin-2-amine |
| MolecularFormula | C26H25N5O3 |
| Smiles | [O-][N+](c1ccc(/C=C(\CC2)/C(N3CCOCC3)=C2/C=N\Nc2nc3ccccc3cc2)cc1)=O |
| InChI | InChI=1S/C26H25N5O3/c32-31(33)23-10-5-19(6-11-23)17-21-7-8-22(26(21)30-13-15-34-16-14-30)18-27-29-25-12-9-20-3-1-2-4-24(20)28-25/h1-6,9-12,17-18H,7-8,13-16H2,(H,28,29) |
| InChIK | FSFRSEDSFFSMIA-UHFFFAOYSA-N |
| TotalMolweight | 455.517 |
| Molweight | 455.517 |
| MonoisotopicMass | 455.19574 |
| CLogP | 4.9958 |
| CLogS | -5.406 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 349.76 |
| Relative PSA | 0.22275 |
| PolarSurfaceArea | 95.57 |
| Druglikeness | -2.015 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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