(6,7-Dimethoxyisoquinolin-1-yl)(4-methoxyphenyl)methanone
PubChem CID: 44326993
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| Compound Synonyms | 20359-10-8, CHEMBL94263, SCHEMBL23458028, EX-A6388, (6,7-dimethoxyisoquinolin-1-yl)(4-methoxyphenyl)methanone, (6,7-dimethoxyisoquinolinyl)-(4'-methoxyphenyl)-methanone, Methanone, (6,7-dimethoxy-1-isoquinolinyl)(4-methoxyphenyl)- |
|---|---|
| Topological Polar Surface Area | 57.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 422.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6,7-dimethoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanone |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C19H17NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UZNKGMPIZWBDHA-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -4.672 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.011 |
| Compound Name | (6,7-Dimethoxyisoquinolin-1-yl)(4-methoxyphenyl)methanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 323.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 323.116 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 323.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.332790933333333 |
| Inchi | InChI=1S/C19H17NO4/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/h4-11H,1-3H3 |
| Smiles | COC1=CC=C(C=C1)C(=O)C2=NC=CC3=CC(=C(C=C32)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Seriphidium Finitum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all