2-[2-(1,3-Benzodioxol-5-Yl)Ethyl]Quinoline
PubChem CID: 10084876
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 124902-95-0, Quinoline, 2-[2-(1,3-benzodioxol-5-yl)ethyl]-, 2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline, DTXSID90435423, 2-(2-(1,3-Benzodioxol-5-Yl)Ethyl)Quinoline, Quinoline, 2-(2-(1,3-benzodioxol-5-yl)ethyl)-, SCHEMBL951425, CHEMBL174146, DTXCID90386249, ZDRLPWFUZOCXJT-UHFFFAOYSA-N, 2-(3,4-Methylenedioxyphenylethyl)Quinoleine |
|---|---|
| Topological Polar Surface Area | 31.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C18H15NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZDRLPWFUZOCXJT-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -5.522 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.819 |
| Compound Name | 2-[2-(1,3-Benzodioxol-5-Yl)Ethyl]Quinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 277.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 277.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 277.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6090121238095225 |
| Inchi | InChI=1S/C18H15NO2/c1-2-4-16-14(3-1)7-9-15(19-16)8-5-13-6-10-17-18(11-13)21-12-20-17/h1-4,6-7,9-11H,5,8,12H2 |
| Smiles | C1OC2=C(O1)C=C(C=C2)CCC3=NC4=CC=CC=C4C=C3 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peperomia Pellucida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all