1-methyl-8-[(E)-tridec-2-enyl]quinolin-4-one
PubChem CID: 6449791
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| Compound Synonyms | 1-methyl-8-[(E)-tridec-2-enyl]quinolin-4-one, SCHEMBL15942080, DTXSID401018078 |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 439.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-8-[(E)-tridec-2-enyl]quinolin-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.8 |
| Molecular Formula | C23H33NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | PJIAEESQHDEASQ-OUKQBFOZSA-N |
| Fcsp3 | 0.5217391304347826 |
| Logs | -6.024 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.788 |
| Compound Name | 1-methyl-8-[(E)-tridec-2-enyl]quinolin-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 339.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 339.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 339.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.109442600000001 |
| Inchi | InChI=1S/C23H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-15-20-16-14-17-21-22(25)18-19-24(2)23(20)21/h12-14,16-19H,3-11,15H2,1-2H3/b13-12+ |
| Smiles | CCCCCCCCCC/C=C/CC1=C2C(=CC=C1)C(=O)C=CN2C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients