N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide

HCID 6603767
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Basic information

Standard SMILES
CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1
InChIKey
RAVIZVQZGXBOQO-AWEZNQCLSA-N
Molecular formula
C21H21ClN2O
Average molar mass
352.9 g/mol

Names & identifiers

Preferred name
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
IUPAC
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide

Names & synonyms

(R)-(-)-PK 11195CHEMBL251953205934-46-9Tocris-0670Lopac-C-0424SCHEMBL7685386CHEMBL1201842RAVIZVQZGXBOQO-AWEZNQCLSA-NBDBM50229596N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamideNCGC00015205-01NCGC00015205-02
Show more names
NCGC00024720-01(R)-N-sec-Butyl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide1-(2-chlorophenyl)-N-methyl-N-[(1S)-1-methylpropyl]isoquinoline-3-carboxamideN-methyl N-(1-(S)-methyl propyl) 1-(2-chlorophenyl) isoquinoline 3-carboxamide

Database identifiers

PubChem CID
6603767
ChEMBL
CHEMBL1201842、CHEMBL251953

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
33.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
25

Related reactions

1 records
New reaction record

Compound notes

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