(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)-(4-methoxyphenyl)methanone
PubChem CID: 2752158
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL92672, AKOS004907169 |
|---|---|
| Topological Polar Surface Area | 57.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 470.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-(4-methoxyphenyl)methanone |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C19H19NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CIYCAXMLCWXOKZ-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -4.526 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.761 |
| Compound Name | (6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)-(4-methoxyphenyl)methanone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 325.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 325.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 325.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6423568000000004 |
| Inchi | InChI=1S/C19H19NO4/c1-22-14-6-4-12(5-7-14)19(21)18-15-11-17(24-3)16(23-2)10-13(15)8-9-20-18/h4-7,10-11H,8-9H2,1-3H3 |
| Smiles | COC1=CC=C(C=C1)C(=O)C2=NCCC3=CC(=C(C=C32)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilegia Ecalcarata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Aquilegia Fragrans (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Aquilegia Moorcroftiana (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Aquilegia Viridiflora (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Aquilegia Vulgaris (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Erysimum Altaicum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Erysimum Asperum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Erysimum Canescens (Plant) Rel Props:Reference: - 9. Outgoing r'ship
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FOUND_INto/from Jasminum Cuspidatum (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Papaver Hybrid (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Plagiomnium Cuspidatum (Plant) Rel Props:Reference: - 22. Outgoing r'ship
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FOUND_INto/from Seriphidium Brevifolium (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Seriphidium Cinum (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Seriphidium Finitum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Zanthoxylum Cuspidatum (Plant) Rel Props:Reference: