Basic information
- CAS
89928-93-8- Standard SMILES
Cc1c(C(=O)NCCN(C)C)nc(Cl)c2ccccc12- InChIKey
FRSNESHNITVVQH-UHFFFAOYSA-N- Molecular formula
- C15H18ClN3O
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1138399
Names & identifiers
- Preferred name
- 3-Isoquinolinecarboxamide, 1-chloro-N-(2-(dimethylamino)ethyl)-4-methyl-
- IUPAC
- 1-chloro-N-[2-(dimethylamino)ethyl]-4-methylisoquinoline-3-carboxamide
Names & synonyms
89928-93-83-ISOQUINOLINECARBOXAMIDE, 1-CHLORO-N-(2-(DIMETHYLAMINO)ETHYL)-4-METHYL-1-Chloro-N-(2-(dimethylamino)ethyl)-4-methyl-3-isoquinolinecarboxamideDTXSID10237941RefChem:280170DTXCID60160432SCHEMBL293551201-chloro-N-[2-(dimethylamino)ethyl]-4-methylisoquinoline-3-carboxamide
Database identifiers
- CAS
89928-93-8- PubChem CID
- 56022
- DTXSID
DTXSID10237941- Nikkaji
- J68.839H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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