(S)-ethyl-3-[4-(3-ethyl-isoquinol-1-yl amino)phenyl]-2-aminopropionate

HCID 69375403
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Basic information

Standard SMILES
CCOC(=O)[C@@H](N)Cc1ccc(Nc2nc(CC)cc3ccccc23)cc1
InChIKey
UAIHDUFOYYRVRE-FQEVSTJZSA-N
Molecular formula
C22H25N3O2
Average molar mass
363.5 g/mol

Names & identifiers

Preferred name
(S)-ethyl-3-[4-(3-ethyl-isoquinol-1-yl amino)phenyl]-2-aminopropionate
IUPAC
ethyl (2S)-2-amino-3-[4-[(3-ethylisoquinolin-1-yl)amino]phenyl]propanoate

Names & synonyms

SCHEMBL5259516UAIHDUFOYYRVRE-FQEVSTJZSA-N(S)-ethyl-3-[4-(3-ethyl-isoquinol-1-yl amino)phenyl]-2-aminopropionate

Database identifiers

PubChem CID
69375403

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
77.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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