Basic information
- CAS
64157-39-7- Standard SMILES
Nc1ncc2ccccc2c1-c1ccc(NC(=O)CCCl)cc1- InChIKey
YFPSWDVFUZAZRD-UHFFFAOYSA-N- Molecular formula
- C18H16ClN3O
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.0981898
Names & identifiers
- Preferred name
- N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide
- IUPAC
- N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide
Names & synonyms
64157-39-7N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamideNSC273436DTXSID20313629NSC-273436
Database identifiers
- CAS
64157-39-7- PubChem CID
- 321571
- DTXSID
DTXSID20313629
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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