6-bromo-2-cyclopropyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]quinoline-4-carboxamide
Formula:C20H16N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
6-bromo-2-cyclopropyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]quinoline-4-carboxamide is a drug-like molecule.
| MolName | 6-bromo-2-cyclopropyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]quinoline-4-carboxamide |
| MolecularFormula | C20H16N3O2Br |
| Smiles | O=C(c1c(cc(cc2)Br)c2nc(C2CC2)c1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C20H16BrN3O2/c21-14-7-8-18-16(11-14)17(12-19(23-18)13-5-6-13)20(25)24-22-9-1-3-15-4-2-10-26-15/h1-4,7-13H,5-6H2,(H,24,25) |
| InChIK | FOPWUGBVHQXIIX-UHFFFAOYSA-N |
| TotalMolweight | 410.27 |
| Molweight | 410.27 |
| MonoisotopicMass | 409.042588 |
| CLogP | 4.6146 |
| CLogS | -6.216 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 281.69 |
| Relative PSA | 0.21687 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 3.1194 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 6-bromo-2-cyclopropyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]quinoline-4-carboxamide | 2 - 6-bromo-2-cyclopropyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]quinoline-4-carboxamide
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