Basic information
- CAS
89929-04-4- Standard SMILES
Cc1c(C(=O)NCCN(C)C)n(C)c(=O)c2ccccc12- InChIKey
BCVKSZPWGBGKRX-UHFFFAOYSA-N- Molecular formula
- C16H21N3O2
- Average molar mass
- 287.36 g/mol
- Monoisotopic mass
- 287.16337692
Names & identifiers
- Preferred name
- 3-Isoquinolinecarboxamide, 1,2-dihydro-2,4-dimethyl-N-(2-(dimethylamino)ethyl)-1-oxo-
- IUPAC
- N-[2-(dimethylamino)ethyl]-2,4-dimethyl-1-oxoisoquinoline-3-carboxamide
Names & synonyms
3-Isoquinolinecarboxamide, 1,2-dihydro-2,4-dimethyl-N-(2-(dimethylamino)ethyl)-1-oxo-89929-04-4DTXSID70237942RefChem:1068072DTXCID20160433MLS0033738602,4-Dimethyl-N-(2-(dimethylamino)ethyl)-1-oxo-1,2-dihydro-3-isoquinolinecarboxamideNSC600003CHEMBL1877808NSC-600003N-[2-(dimethylamino)ethyl]-2,4-dimethyl-1-oxo-1,2-dihydroisoquinoline-3-carboxamideSMR002048652
Show more names
5256-51-9
Database identifiers
- CAS
89929-04-4- PubChem CID
- 353020
- DTXSID
DTXSID70237942- ChEMBL
CHEMBL1877808- Nikkaji
- J68.840A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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