N-(1-(5-Chloro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine

HCID 178463528
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Basic information

Standard SMILES
CC(Nc1ncnc2[nH]cnc12)c1cc2c(Cl)cccc2nc1-c1ccccn1
InChIKey
WMCMGNBPPLGPKD-UHFFFAOYSA-N
Molecular formula
C21H16ClN7
Average molar mass
401.8 g/mol
Monoisotopic mass
401.1155712

Names & identifiers

Preferred name
N-(1-(5-Chloro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine
IUPAC
N-[1-(5-chloro-2-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine

Names & synonyms

SCHEMBL4167683WMCMGNBPPLGPKD-UHFFFAOYSA-NN-(1-(5-Chloro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine

Database identifiers

PubChem CID
57707768

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
92.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
29

Related reactions

4 records
New reaction record

Linked notes

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