N-((2-(3-fluoro-phenyl)-8-methoxyquinolin-3-yl)methyl)-9H-purin-6-amine

HCID 178488602
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Basic information

Standard SMILES
COc1cccc2cc(CNc3ncnc4[nH]cnc34)c(-c3cccc(F)c3)nc12
InChIKey
FYJBEXKQYMAUBK-UHFFFAOYSA-N
Molecular formula
C22H17FN6O
Average molar mass
400.4 g/mol
Monoisotopic mass
400.14478735

Names & identifiers

Preferred name
N-((2-(3-fluoro-phenyl)-8-methoxyquinolin-3-yl)methyl)-9H-purin-6-amine
IUPAC
N-[[2-(3-fluorophenyl)-8-methoxyquinolin-3-yl]methyl]-7H-purin-6-amine

Names & synonyms

SCHEMBL4167464FYJBEXKQYMAUBK-UHFFFAOYSA-NN-((2-(3-fluoro-phenyl)-8-methoxyquinolin-3-yl)methyl)-9H-purin-6-amine

Database identifiers

PubChem CID
57707925

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
88.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
30

Related reactions

4 records
New reaction record

Compound notes

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