N-Acetoxymethylflindersine
Basic information
- CAS
149998-45-8- Standard SMILES
CC(=O)OCn1c(=O)c2c(c3ccccc31)OC(C)(C)C=C2- InChIKey
JXPDGNCKRXEJET-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.11575802
Overview
N-Acetoxymethylflindersine is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle.
Names & identifiers
- Preferred name
- N-Acetoxymethylflindersine
- IUPAC
- (2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate
Names & synonyms
N-AcetoxymethylflindersineN-(Acetoxymethyl)flindersineCHEBI:190065DTXSID401309122149998-45-8(2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate(2,2-Dimethyl-5-oxo-2H-pyrano[3,2-c]quinolin-6(5H)-yl)methyl acetate{2,2-dimethyl-5-oxo-2H,5H,6H-pyrano[3,2-c]quinolin-6-yl}methyl acetate
Database identifiers
- CAS
149998-45-8- PubChem CID
- 11289552
- DTXSID
DTXSID401309122- ChEBI
CHEBI:190065
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 561
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
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Related reactions
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Compound notes
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