N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C21H14N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C21H14N3O2Cl |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c1cc2ccccc2nc1Cl)=O |
| InChI | InChI=1S/C21H14ClN3O2/c22-20-16(9-15-7-3-4-8-18(15)24-20)12-23-25-21(27)17-10-13-5-1-2-6-14(13)11-19(17)26/h1-12,26H,(H,25,27) |
| InChIK | IWWRDBRSEMCOSU-UHFFFAOYSA-N |
| TotalMolweight | 375.814 |
| Molweight | 375.814 |
| MonoisotopicMass | 375.077454 |
| CLogP | 5.0697 |
| CLogS | -6.236 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 276.72 |
| Relative PSA | 0.21711 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 4.4298 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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