2-(2'-Hydroxy-4'-methoxyphenyl)-5,8-dimethoxy-3-propyl-1h-quinolin-4-one
PubChem CID: 24766568
Connections displayed (default: 10).
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| Compound Synonyms | 2-(2'-hydroxy-4'-methoxyphenyl)-5,8-dimethoxy-3-propyl-1h-quinolin-4-one |
|---|---|
| Topological Polar Surface Area | 77.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 563.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-hydroxy-4-methoxyphenyl)-5,8-dimethoxy-3-propyl-1H-quinolin-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C21H23NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KRDLFYZITUNBOK-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -4.533 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.106 |
| Compound Name | 2-(2'-Hydroxy-4'-methoxyphenyl)-5,8-dimethoxy-3-propyl-1h-quinolin-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 369.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 369.158 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 369.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.587503918518519 |
| Inchi | InChI=1S/C21H23NO5/c1-5-6-14-19(13-8-7-12(25-2)11-15(13)23)22-20-17(27-4)10-9-16(26-3)18(20)21(14)24/h7-11,23H,5-6H2,1-4H3,(H,22,24) |
| Smiles | CCCC1=C(NC2=C(C=CC(=C2C1=O)OC)OC)C3=C(C=C(C=C3)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Amomum Reticulatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Caralluma Russeliana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Casimiroa Edulis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Dalbergia Monetaria (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Espeletiopsis Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Helianthus Californicus (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Plectranthus Hereroensis (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Polypodium Aureum (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Spiraea Prunifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Ursinia Anthemoides (Plant) Rel Props:Source_db:cmaup_ingredients