1,2-Diamino-4-(benzylamino)-6-morpholin-4-ylquinolin-1-ium-3-carbonitrile

HCID 86644591
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Basic information

Standard SMILES
N#Cc1c(NCc2ccccc2)c2cc(N3CCOCC3)ccc2[n+](N)c1N
InChIKey
AZJPXVUJPDISPB-UHFFFAOYSA-O
Molecular formula
C21H23N6O+
Average molar mass
375.4 g/mol
Monoisotopic mass
375.19333438

Names & identifiers

Preferred name
1,2-Diamino-4-(benzylamino)-6-morpholin-4-ylquinolin-1-ium-3-carbonitrile
IUPAC
1,2-diamino-4-(benzylamino)-6-morpholin-4-ylquinolin-1-ium-3-carbonitrile

Database identifiers

PubChem CID
86644591

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
104 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
28

Related reactions

1 records
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Compound notes

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