6-chloro-4-phenyl-3-[(E)-3-quinolin-6-ylprop-2-enoyl]-1H-quinolin-2-one
Formula:C27H17N2O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
6-chloro-4-phenyl-3-[(E)-3-quinolin-6-ylprop-2-enoyl]-1H-quinolin-2-one is a drug-like molecule.
| MolName | 6-chloro-4-phenyl-3-[(E)-3-quinolin-6-ylprop-2-enoyl]-1H-quinolin-2-one |
| MolecularFormula | C27H17N2O2Cl |
| Smiles | O=C(/C=C/c1cc2cccnc2cc1)C1=C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O |
| InChI | InChI=1S/C27H17ClN2O2/c28-20-10-12-23-21(16-20)25(18-5-2-1-3-6-18)26(27(32)30-23)24(31)13-9-17-8-11-22-19(15-17)7-4-14-29-22/h1-16H,(H,30,32) |
| InChIK | FXEHMRFQWCIMSC-UHFFFAOYSA-N |
| TotalMolweight | 436.897 |
| Molweight | 436.897 |
| MonoisotopicMass | 436.097855 |
| CLogP | 4.9818 |
| CLogS | -6.645 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 324.44 |
| Relative PSA | 0.14952 |
| PolarSurfaceArea | 59.06 |
| Druglikeness | 3.7191 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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