(3R)-3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)-1H-quinoline-2,4-dione
PubChem CID: 163049490
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 514.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)-1H-quinoline-2,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C19H23NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LAXFAGHIJVQGNK-LJQANCHMSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -1.814 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.166 |
| Compound Name | (3R)-3-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)-1H-quinoline-2,4-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 297.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 297.173 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 297.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.708685781818182 |
| Inchi | InChI=1S/C19H23NO2/c1-6-18(4,5)19(12-11-13(2)3)16(21)14-9-7-8-10-15(14)20-17(19)22/h6-11H,1,12H2,2-5H3,(H,20,22)/t19-/m1/s1 |
| Smiles | CC(=CC[C@]1(C(=O)C2=CC=CC=C2NC1=O)C(C)(C)C=C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trollius Macropetalus (Plant) Rel Props:Source_db:cmaup_ingredients