Quinolinone A
PubChem CID: 25768656
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Quinolinone A, (3R,4R)-4-hydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one, CHEBI:203920 |
|---|---|
| Topological Polar Surface Area | 67.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,4R)-4-hydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C17H17NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VCKUOSKDXLTBDG-DOTOQJQBSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.6 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.402 |
| Compound Name | Quinolinone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 299.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 299.116 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 299.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9850575636363637 |
| Inchi | InChI=1S/C17H17NO4/c1-21-12-9-7-11(8-10-12)17(20)13-5-3-4-6-14(13)18-16(19)15(17)22-2/h3-10,15,20H,1-2H3,(H,18,19)/t15-,17+/m0/s1 |
| Smiles | CO[C@H]1C(=O)NC2=CC=CC=C2[C@@]1(C3=CC=C(C=C3)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Pachycarpa (Plant) Rel Props:Source_db:cmaup_ingredients