tert-butyl 4-[2-(4-amino-7-bromo-2-ethoxymethyl-1H-imidazo[4,5-c]quinolin-1-yl)ethyl]-4-oxidopiperazine-1-carboxylate

HCID 21984440
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CC[N+]1([O-])CCN(C(=O)OC(C)(C)C)CC1
InChIKey
COHAUNVUTNOLPX-UHFFFAOYSA-N
Molecular formula
C24H33BrN6O4
Average molar mass
549.5 g/mol

Names & identifiers

Preferred name
tert-butyl 4-[2-(4-amino-7-bromo-2-ethoxymethyl-1H-imidazo[4,5-c]quinolin-1-yl)ethyl]-4-oxidopiperazine-1-carboxylate
IUPAC
tert-butyl 4-[2-[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-4-oxidopiperazin-4-ium-1-carboxylate

Names & synonyms

SCHEMBL3865914COHAUNVUTNOLPX-UHFFFAOYSA-Ntert-butyl 4-[2-(4-amino-7-bromo-2-ethoxymethyl-1H-imidazo[4,5-c]quinolin-1-yl)ethyl]-4-oxidopiperazine-1-carboxylate

Database identifiers

PubChem CID
21984440

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
114 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
35

Related reactions

2 records
New reaction record

Linked notes

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