2(1H)-Quinolinone, 6-hydroxy-4-methoxy-1-methyl-
PubChem CID: 158015
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| Compound Synonyms | 2(1H)-Quinolinone, 6-hydroxy-4-methoxy-1-methyl-, 81943-13-7, DTXSID80231471, 6-hydroxy-4-methoxy-1-methylquinolin-2-one, SCHEMBL19330830, DTXCID80153962 |
|---|---|
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 300.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-4-methoxy-1-methylquinolin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C11H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PMIJOJQWNBZWIA-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.106 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.366 |
| Compound Name | 2(1H)-Quinolinone, 6-hydroxy-4-methoxy-1-methyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 205.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 205.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 205.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0957539333333335 |
| Inchi | InChI=1S/C11H11NO3/c1-12-9-4-3-7(13)5-8(9)10(15-2)6-11(12)14/h3-6,13H,1-2H3 |
| Smiles | CN1C2=C(C=C(C=C2)O)C(=CC1=O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycosmis Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients