1-(6,8-Dimethoxy-[1,3]dioxolo[4,5-h]quinolin-7-yl)-3-methylbut-3-en-2-ol
PubChem CID: 101663727
Connections displayed (default: 10).
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| Topological Polar Surface Area | 70.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(6,8-dimethoxy-[1,3]dioxolo[4,5-h]quinolin-7-yl)-3-methylbut-3-en-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C17H19NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WSGNACAVADSXNC-UHFFFAOYSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -4.658 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.733 |
| Compound Name | 1-(6,8-Dimethoxy-[1,3]dioxolo[4,5-h]quinolin-7-yl)-3-methylbut-3-en-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 317.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 317.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 317.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7900533304347825 |
| Inchi | InChI=1S/C17H19NO5/c1-9(2)12(19)7-11-15(20-3)10-5-6-13-16(23-8-22-13)14(10)18-17(11)21-4/h5-6,12,19H,1,7-8H2,2-4H3 |
| Smiles | CC(=C)C(CC1=C(C2=C(C3=C(C=C2)OCO3)N=C1OC)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Orixa Japonica (Plant) Rel Props:Source_db:cmaup_ingredients