6-Methoxy-4-methylquinoline
PubChem CID: 258761
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| Compound Synonyms | 6-Methoxy-4-methylquinoline, 41037-26-7, 4-methyl-6-methoxyquinoline, 6-Methoxylepidine, 6-methoxy-4-methyl-quinoline, Quinoline, 6-methoxy-4-methyl-, DTXSID90961398, Methoxymethylquinoline, MFCD00191547, 6-Methoxy-4-methylpuinoline, 6-Methoxy-4-methylquinoline #, SCHEMBL1496335, DTXCID101389226, BCP28898, XH0801, AKOS006230238, CS-W017550, FS-1574, SB68200, DB-013263, M1087, W18754 |
|---|---|
| Topological Polar Surface Area | 22.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 171.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-4-methylquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C11H11NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | MBVGYFIYXWVPQY-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.693 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.528 |
| Compound Name | 6-Methoxy-4-methylquinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 173.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 173.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 173.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.042563769230769 |
| Inchi | InChI=1S/C11H11NO/c1-8-5-6-12-11-4-3-9(13-2)7-10(8)11/h3-7H,1-2H3 |
| Smiles | CC1=C2C=C(C=CC2=NC=C1)OC |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alstonia Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients