Basic information
- CAS
17889-77-9- Standard SMILES
O=c1cc(CCCCc2ccc3c(c2)OCO3)[nH]c2ccccc12- InChIKey
WVIITJBBQPBPEB-UHFFFAOYSA-N- Molecular formula
- C20H19NO3
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.13649347
Overview
2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone is a member of quinolines.
Names & identifiers
- Preferred name
- 2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone
- IUPAC
- 2-[4-(1,3-benzodioxol-5-yl)butyl]-1H-quinolin-4-one
Names & synonyms
2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone2-[4-(1,3-benzodioxol-5-yl)butyl]-1H-quinolin-4-oneCHEMBL2272377CHEBI:169264DTXSID6012227202-[4-(2H-1,3-benzodioxol-5-yl)butyl]-1,4-dihydroquinolin-4-one2-[4-(1,3-Benzodioxol-5-yl)butyl]-4(1H)-quinolinone2-[4-(2H-1,3-Benzodioxol-5-yl)butyl]quinolin-4(1H)-one17889-77-9
Database identifiers
- CAS
17889-77-9- PubChem CID
- 6325654
- DTXSID
DTXSID601222720- ChEMBL
CHEMBL2272377- ChEBI
CHEBI:169264- Nikkaji
- J1.871.877D
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 489
Experimental & physicochemical properties
Melting Point224 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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