7H-Dibenzo(de,g)quinolin-7-one, 3-hydroxy-1,2-dimethoxy-
PubChem CID: 158503
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| Compound Synonyms | 7H-Dibenzo(de,g)quinolin-7-one, 3-hydroxy-1,2-dimethoxy-, 83375-15-9, DTXSID60232305, 14-hydroxy-15,16-dimethoxy-10-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one, 14-hydroxy-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one, DTXCID20154796 |
|---|---|
| Topological Polar Surface Area | 68.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 470.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14-hydroxy-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C18H13NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DXVWMHWWESIWQN-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -4.718 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.815 |
| Compound Name | 7H-Dibenzo(de,g)quinolin-7-one, 3-hydroxy-1,2-dimethoxy- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 307.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 307.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 307.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.118873608695652 |
| Inchi | InChI=1S/C18H13NO4/c1-22-17-13-9-5-3-4-6-10(9)15(20)14-12(13)11(7-8-19-14)16(21)18(17)23-2/h3-8,21H,1-2H3 |
| Smiles | COC1=C2C3=CC=CC=C3C(=O)C4=NC=CC(=C24)C(=C1OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cucurbita Pepo (Plant) Rel Props:Source_db:cmaup_ingredients