11-Methoxy-1,2,4,5-tetrahydro-3-azepino[4,5-b]quinoline-carboxylic acid ethyl ester
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCOC(=O)N1CCc2nc3ccccc3c(OC)c2CC1- InChIKey
FIRJTUOOBMEYQE-UHFFFAOYSA-N- Molecular formula
- C17H20N2O3
- Average molar mass
- 300.35 g/mol
- Monoisotopic mass
- 300.1473925
Names & identifiers
- Preferred name
- 11-Methoxy-1,2,4,5-tetrahydro-3-azepino[4,5-b]quinoline-carboxylic acid ethyl ester
- IUPAC
- ethyl 11-methoxy-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carboxylate
Names & synonyms
SCHEMBL11832424FIRJTUOOBMEYQE-UHFFFAOYSA-N11-methoxy -1,2,4,5-tetrahydro-3-azepino[4,5-b]quinoline-carboxylic acid ethyl ester11-methoxy-1,2,4,5-tetrahydro-3-azepino[4,5-b] quinoline-carboxylic acid ethyl ester11-Methoxy-1,2,4,5-tetrahydro-3-azepino[4,5-b]quinoline-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 53801409
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
Related reactions
6 records
Compound notes
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