4,7,8-trimethoxy-3-[(E)-3-methylbut-1-enyl]-1H-quinolin-2-one
PubChem CID: 6325017
Connections displayed (default: 10).
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| Topological Polar Surface Area | 56.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 469.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7,8-trimethoxy-3-[(E)-3-methylbut-1-enyl]-1H-quinolin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C17H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AUSFEFKKBMKUEI-VOTSOKGWSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -4.811 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.301 |
| Compound Name | 4,7,8-trimethoxy-3-[(E)-3-methylbut-1-enyl]-1H-quinolin-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 303.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 303.147 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 303.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.152683236363636 |
| Inchi | InChI=1S/C17H21NO4/c1-10(2)6-7-12-15(21-4)11-8-9-13(20-3)16(22-5)14(11)18-17(12)19/h6-10H,1-5H3,(H,18,19)/b7-6+ |
| Smiles | CC(C)/C=C/C1=C(C2=C(C(=C(C=C2)OC)OC)NC1=O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ageratina Saltillensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dictamnus Dasycarpus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Esenbeckia Hartmanii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Grewia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Salta Triflora (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Salvia Polystachya (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Trifolium Montanum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Wikstroemia Indica (Plant) Rel Props:Source_db:cmaup_ingredients