(S)-3-(1-((2-amino-5-iodopyrimidin-4-yl)amino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one

HCID 71270099
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Basic information

Standard SMILES
C[C@H](Nc1nc(N)ncc1I)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
InChIKey
HWZLIEUBEILFAG-LBPRGKRZSA-N
Molecular formula
C21H17ClIN5O
Average molar mass
517.7 g/mol

Names & identifiers

Preferred name
(S)-3-(1-((2-amino-5-iodopyrimidin-4-yl)amino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one
IUPAC
3-[(1S)-1-[(2-amino-5-iodopyrimidin-4-yl)amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one

Names & synonyms

SCHEMBL14718912HWZLIEUBEILFAG-LBPRGKRZSA-N(S)-3-(1-((2-amino-5-iodopyrimidin-4-yl)amino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one

Database identifiers

PubChem CID
71270099

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
84.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
29

Related reactions

2 records
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Compound notes

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