(5-methoxymethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)oxoacetic acid methyl ester
Basic information
- Standard SMILES
COCC1Cc2cccc3c(C(=O)C(=O)OC)cn(c23)C1- InChIKey
OOQDBRUNMFGOKM-UHFFFAOYSA-N- Molecular formula
- C16H17NO4
- Average molar mass
- 287.31 g/mol
Names & identifiers
- Preferred name
- (5-methoxymethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)oxoacetic acid methyl ester
- IUPAC
- methyl 2-[10-(methoxymethyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl]-2-oxoacetate
Names & synonyms
SCHEMBL6327649OOQDBRUNMFGOKM-UHFFFAOYSA-N(5-methoxymethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)oxoacetic acid methyl ester
Database identifiers
- PubChem CID
- 69743508
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
Related reactions
1 records
Compound notes
Loading…