Basic information
- Standard SMILES
CCOC(=O)COc1c(C)cc2cccnc2c1N1CCCNCC1- InChIKey
BTFVMPUFQJBGHB-UHFFFAOYSA-N- Molecular formula
- C19H25N3O3
- Average molar mass
- 343.4 g/mol
Names & identifiers
- Preferred name
- (8-[1,4]Diazepan-1-yl-6-methyl-quinolin-7-yloxy)-acetic acid ethyl ester
- IUPAC
- ethyl 2-[8-(1,4-diazepan-1-yl)-6-methylquinolin-7-yl]oxyacetate
Names & synonyms
SCHEMBL1061217BTFVMPUFQJBGHB-UHFFFAOYSA-N(8-[1,4]diazepan-1-yl-6-methyl-quinolin-7-yloxy)-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 59366177
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 434
Related reactions
3 records
Compound notes
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