Basic information
- Standard SMILES
CCCCNc1c(C(=O)OCC)cnc2c(OC)cc(Cl)cc12- InChIKey
WHSNBGOXONQDRM-UHFFFAOYSA-N- Molecular formula
- C17H21ClN2O3
- Average molar mass
- 336.8 g/mol
Names & identifiers
- Preferred name
- 4-Butylamino-6-chloro-8-methoxy-quinoline-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-(butylamino)-6-chloro-8-methoxyquinoline-3-carboxylate
Names & synonyms
SCHEMBL2018016WHSNBGOXONQDRM-UHFFFAOYSA-N4-butylamino-6-chloro-8-methoxy-quinoline-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 67249554
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 383
Related reactions
6 records
Compound notes
Loading…