Basic information
- Standard SMILES
CCOC(=O)CC(C)n1c(CCl)nc2cnc3ccccc3c21- InChIKey
LYUCTAASQOFPIZ-UHFFFAOYSA-N- Molecular formula
- C17H18ClN3O2
- Average molar mass
- 331.8 g/mol
Names & identifiers
- Preferred name
- ethyl 3-[2-(chloromethyl)-1H-imidazo[4,5-c]quinolin-1-yl]butanoate
- IUPAC
- ethyl 3-[2-(chloromethyl)imidazo[4,5-c]quinolin-1-yl]butanoate
Names & synonyms
SCHEMBL1775777LYUCTAASQOFPIZ-UHFFFAOYSA-Nethyl 3-[2-(chloromethyl)-1H-imidazo[4,5-c]quinolin-1-yl]butanoate
Database identifiers
- PubChem CID
- 67157300
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 423
Related reactions
6 records
Compound notes
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