3-[7-(2-Chloroethoxy)-1-oxoisoquinolin-2(1H)-yl]-N-cyclopropyl-4-methylbenzamide
Basic information
- Standard SMILES
Cc1ccc(C(=O)NC2CC2)cc1-n1ccc2ccc(OCCCl)cc2c1=O- InChIKey
BVFHDIUGTIVJMO-UHFFFAOYSA-N- Molecular formula
- C22H21ClN2O3
- Average molar mass
- 396.9 g/mol
Names & identifiers
- Preferred name
- 3-[7-(2-Chloroethoxy)-1-oxoisoquinolin-2(1H)-yl]-N-cyclopropyl-4-methylbenzamide
- IUPAC
- 3-[7-(2-chloroethoxy)-1-oxoisoquinolin-2-yl]-N-cyclopropyl-4-methylbenzamide
Names & synonyms
SCHEMBL1399817BVFHDIUGTIVJMO-UHFFFAOYSA-N3-[7-(2-Chloroethoxy)-1-oxoisoquinolin-2(1H)-yl]-N-cyclopropyl-4-methylbenzamide
Database identifiers
- PubChem CID
- 67018570
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 621
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Related reactions
5 records
Compound notes
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