4-Methoxy-2-Phenylquinoline
PubChem CID: 826247
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| Compound Synonyms | 4-methoxy-2-phenylquinoline, Oprea1_813638, MLS000549196, 4-Methoxy-2-phenyl-quinoline, SCHEMBL955714, CHEMBL279335, SCHEMBL12891980, HMS2342J21, 22680-62-2, SMR000113849, AB00483301-09, AE-562/12222926 |
|---|---|
| Topological Polar Surface Area | 22.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 262.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02545, Q16637, P00811, P15428, O75164, Q9UIF8, P83916, n.a., P43220, P63092 |
| Iupac Name | 4-methoxy-2-phenylquinoline |
| Prediction Hob | 1.0 |
| Target Id | NPT483, NPT93, NPT151 |
| Xlogp | 4.1 |
| Molecular Formula | C16H13NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | CVJHRDUVYHASOG-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -5.22 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.889 |
| Compound Name | 4-Methoxy-2-Phenylquinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 235.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 235.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 235.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.388650977777778 |
| Inchi | InChI=1S/C16H13NO/c1-18-16-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16/h2-11H,1H3 |
| Smiles | COC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3 |
| Nring | 3.0 |
| 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