5,8-Dimethoxy-2-(3',4'-dimethoxyphenyl)-3-propyl-1h-quinolin-4-one
PubChem CID: 24766569
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| Compound Synonyms | 5,8-dimethoxy-2-(3',4'-dimethoxyphenyl)-3-propyl-1h-quinolin-4-one |
|---|---|
| Topological Polar Surface Area | 66.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 577.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-5,8-dimethoxy-3-propyl-1H-quinolin-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C22H25NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OSTCLUSJTWXHEU-UHFFFAOYSA-N |
| Fcsp3 | 0.3181818181818182 |
| Logs | -3.105 |
| Rotatable Bond Count | 7.0 |
| Logd | 1.787 |
| Compound Name | 5,8-Dimethoxy-2-(3',4'-dimethoxyphenyl)-3-propyl-1h-quinolin-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 383.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 383.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 383.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.800709942857144 |
| Inchi | InChI=1S/C22H25NO5/c1-6-7-14-20(13-8-9-15(25-2)18(12-13)28-5)23-21-17(27-4)11-10-16(26-3)19(21)22(14)24/h8-12H,6-7H2,1-5H3,(H,23,24) |
| Smiles | CCCC1=C(NC2=C(C=CC(=C2C1=O)OC)OC)C3=CC(=C(C=C3)OC)OC |
| Nring | 5.0 |
| 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 Casimiroa Edulis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Dalbergia Monetaria (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Espeletiopsis Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Helianthus Californicus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Plectranthus Hereroensis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Polypodium Aureum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Spiraea Prunifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Ursinia Anthemoides (Plant) Rel Props:Source_db:cmaup_ingredients