4-Methoxy-2-Pentylquinoline
PubChem CID: 3009247
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| Compound Synonyms | 4-methoxy-2-pentylquinoline, 22048-99-3, 4-methoxy-2-pentyl-quinoline, 2-n-Amyl-4-methoxy-chinolin, SCHEMBL951984, CHEMBL456955, DTXSID201310763, D1a 4-Methoxy-2n-pentylquinoleine |
|---|---|
| Topological Polar Surface Area | 22.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 219.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-2-pentylquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C15H19NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | GBEBHUXJNVPKMN-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -5.239 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.036 |
| Compound Name | 4-Methoxy-2-Pentylquinoline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 229.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 229.147 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 229.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.315496717647059 |
| Inchi | InChI=1S/C15H19NO/c1-3-4-5-8-12-11-15(17-2)13-9-6-7-10-14(13)16-12/h6-7,9-11H,3-5,8H2,1-2H3 |
| Smiles | CCCCCC1=NC2=CC=CC=C2C(=C1)OC |
| Nring | 2.0 |
| 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