12-methoxy-8H-benzo[g][1,3]benzodioxolo[6,5,4-de]quinolin-8-one
PubChem CID: 639590
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| Compound Synonyms | 12-methoxy-8H-benzo[g][1,3]benzodioxolo[6,5,4-de]quinolin-8-one, 8H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-one, 12-methoxy-, InChI=1/C18H11NO4/c1-21-11-4-2-3-10-14(11)15-13-9(5-6-19-16(13)17(10)20)7-12-18(15)23-8-22-12/h2-7H,8H2,1H |
|---|---|
| Topological Polar Surface Area | 57.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 497.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H11NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LENYISKFJJQKGE-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -6.53 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.801 |
| Compound Name | 12-methoxy-8H-benzo[g][1,3]benzodioxolo[6,5,4-de]quinolin-8-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 305.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 305.069 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 305.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.298374408695653 |
| Inchi | InChI=1S/C18H11NO4/c1-21-11-4-2-3-10-14(11)15-13-9(5-6-19-16(13)17(10)20)7-12-18(15)23-8-22-12/h2-7H,8H2,1H3 |
| Smiles | COC1=CC=CC2=C1C3=C4C(=CC5=C3OCO5)C=CN=C4C2=O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Sheareri (Plant) Rel Props:Source_db:cmaup_ingredients