3,3-Bis(but-3-enyl)-4-methoxy-1,4-dihydroquinolin-2-one
PubChem CID: 5316878
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL476502 |
|---|---|
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,3-bis(but-3-enyl)-4-methoxy-1,4-dihydroquinolin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C18H23NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YZVDZYQLCWDXCS-UHFFFAOYSA-N |
| Fcsp3 | 0.3888888888888889 |
| Logs | -4.811 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.461 |
| Compound Name | 3,3-Bis(but-3-enyl)-4-methoxy-1,4-dihydroquinolin-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 285.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 285.173 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 285.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.626827971428571 |
| Inchi | InChI=1S/C18H23NO2/c1-4-6-12-18(13-7-5-2)16(21-3)14-10-8-9-11-15(14)19-17(18)20/h4-5,8-11,16H,1-2,6-7,12-13H2,3H3,(H,19,20) |
| Smiles | COC1C2=CC=CC=C2NC(=O)C1(CCC=C)CCC=C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Integrifoliolum (Plant) Rel Props:Source_db:cmaup_ingredients