2(1H)-Quinolinone, 3-(3-methyl-2-butenyl)-4-[(3-methyl-2-butenyl)oxy]-
PubChem CID: 4556
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| Compound Synonyms | NSC692297, CHEBI:65536, 18118-29-1, 2(1H)-Quinolinone, 3-(3-methyl-2-butenyl)-4-[(3-methyl-2-butenyl)oxy]-, CHEMBL444821, 4-(3-methylbut-2-enoxy)-3-(3-methylbut-2-enyl)-1H-quinolin-2-one, Buchapine deriv., DTXSID50274436, YADLZLRNLRNTCM-UHFFFAOYSA-N, BDBM50478416, Carbostyril, 3-(3-methyl-2-butenyl)-4-[(3-methyl-2-butenyl)oxy]-, 3-(3-Methyl-2-butenyl)-4-[(3-methyl-2-butenyl)oxy]-2(1H)-quinolinone, NSC-692297, 3-dimethylallyl-4-dimethylallyloxyquinolin-2-one, Q27133987, 3-(3-Methyl-2-butenyl)-4-[(3-methyl-2-butenyl)oxy]-2-quinolinol #, 4-[(3-Methyl-2-butenyl)oxy]-3-(3-methyl-2-butenyl)quinoline-2(1H)-one, 3-(3-methylbut-2-enyl)-4-(3-methylbut-2-enyloxy)quinolin-2(1H)-one (Structural isomer of Buchapine) |
|---|---|
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 506.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q72547 |
| Iupac Name | 4-(3-methylbut-2-enoxy)-3-(3-methylbut-2-enyl)-1H-quinolin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C19H23NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YADLZLRNLRNTCM-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -3.354 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.17 |
| Compound Name | 2(1H)-Quinolinone, 3-(3-methyl-2-butenyl)-4-[(3-methyl-2-butenyl)oxy]- |
| Prediction Hob Swissadme | 0.0 |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.199331236363636 |
| Inchi | InChI=1S/C19H23NO2/c1-13(2)9-10-16-18(22-12-11-14(3)4)15-7-5-6-8-17(15)20-19(16)21/h5-9,11H,10,12H2,1-4H3,(H,20,21) |
| Smiles | CC(=CCC1=C(C2=CC=CC=C2NC1=O)OCC=C(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Haplophyllum Tuberculatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Trollius Macropetalus (Plant) Rel Props:Source_db:npass_chem_all