N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide
Formula:C23H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide |
| MolecularFormula | C23H18N4O2 |
| Smiles | C#CCn1c(cccc2)c2c(/C=N\NC(COc2cccc3cccnc23)=O)c1 |
| InChI | InChI=1S/C23H18N4O2/c1-2-13-27-15-18(19-9-3-4-10-20(19)27)14-25-26-22(28)16-29-21-11-5-7-17-8-6-12-24-23(17)21/h1,3-12,14-15H,13,16H2,(H,26,28) |
| InChIK | LONDBUMELLWCNR-UHFFFAOYSA-N |
| TotalMolweight | 382.422 |
| Molweight | 382.422 |
| MonoisotopicMass | 382.142976 |
| CLogP | 3.1416 |
| CLogS | -4.724 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 305.48 |
| Relative PSA | 0.20902 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 5.9484 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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