Basic information
- CAS
18118-29-1- Standard SMILES
CC(C)=CCOc1c(CC=C(C)C)c(=O)[nH]c2ccccc12- InChIKey
YADLZLRNLRNTCM-UHFFFAOYSA-N- Molecular formula
- C19H23NO2
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.17287898
Overview
3-(3-methylbut-2-enyl)-4-(3-methylbut-2-enyloxy)quinolin-2(1H)-one (Structural isomer of Buchapine) is a member of quinolines. It has a role as a metabolite.
Names & identifiers
- Preferred name
- 2(1H)-Quinolinone, 3-(3-methyl-2-butenyl)-4-[(3-methyl-2-butenyl)oxy]-
- IUPAC
- 4-(3-methylbut-2-enoxy)-3-(3-methylbut-2-enyl)-1H-quinolin-2-one
- English name
- 4-[(3-Methyl-2-butenyl)oxy]-3-(3-methyl-2-butenyl)quinoline-2(1H)-one
- Molecular formula
- C19H23NO2
- Molecular weight
- 297.39
Names & synonyms
NSC6922972(1H)-Quinolinone, 3-(3-methyl-2-butenyl)-4-[(3-methyl-2-butenyl)oxy]-CHEMBL44482118118-29-1CHEBI:655364-(3-methylbut-2-enoxy)-3-(3-methylbut-2-enyl)-1H-quinolin-2-oneBuchapine deriv.DTXSID50274436YADLZLRNLRNTCM-UHFFFAOYSA-NBDBM50478416Carbostyril, 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
Show more names
4-[(3-Methyl-2-butenyl)oxy]-3-(3-methyl-2-butenyl)quinoline-2(1H)-one2(1H)-Quinolinone, 3-(3-methyl-2-buten-1-yl)-4-[(3-methyl-2-buten-1-yl)oxy]-
NSC-6922973-dimethylallyl-4-dimethylallyloxyquinolin-2-oneQ271339873-(3-Methyl-2-butenyl)-4-[(3-methyl-2-butenyl)oxy]-2-quinolinol #3-(3-Methylbut-2-en-1-yl)-4-[(3-methylbut-2-en-1-yl)oxy]quinolin-2(1H)-one3-(3-methylbut-2-enyl)-4-(3-methylbut-2-enyloxy)quinolin-2(1H)-one (Structural isomer of Buchapine)
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 506
Chemistry & industry
Additional notes
DefinitionChEBI: 3-(3-methylbut-2-enyl)-4-(3-methylbut-2-enyloxy)quinolin-2(1H)-one (Structural isomer of Buchapine) is a member of quinolines. It has a role as a metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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