5-Hydroxy-1-methyl-2-phenylquinolin-4(1H)-one
PubChem CID: 71307707
Connections displayed (default: 10).
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| Compound Synonyms | 5-Hydroxy-1-methyl-2-phenylquinolin-4(1H)-one, CHEMBL5283771 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-1-methyl-2-phenylquinolin-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C16H13NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PKIWUAXCGOWBKS-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.401 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.955 |
| Compound Name | 5-Hydroxy-1-methyl-2-phenylquinolin-4(1H)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 251.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 251.095 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 251.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8972248947368415 |
| Inchi | InChI=1S/C16H13NO2/c1-17-12-8-5-9-14(18)16(12)15(19)10-13(17)11-6-3-2-4-7-11/h2-10,18H,1H3 |
| Smiles | CN1C2=C(C(=CC=C2)O)C(=O)C=C1C3=CC=CC=C3 |
| 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