1-(4-aminobutyl)-7-bromo-2-propyl-1H-imidazo[4,5-c]quinolin-4-amine

HCID 21984429

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCCN
InChIKey: NRSJBZGSIJEBBR-UHFFFAOYSA-N
Molecular formula: C17H22BrN5
Average molar mass: 376.3 g/mol

Names & identifiers

Preferred name: 1-(4-aminobutyl)-7-bromo-2-propyl-1H-imidazo[4,5-c]quinolin-4-amine
IUPAC: 1-(4-aminobutyl)-7-bromo-2-propylimidazo[4,5-c]quinolin-4-amine

Names & synonyms

SCHEMBL3861868NRSJBZGSIJEBBR-UHFFFAOYSA-N1-(4-aminobutyl)-7-bromo-2-propyl-1H-imidazo[4,5- c]quinolin-4-amine1-(4-aminobutyl)-7-bromo-2-propyl-1H-imidazo[4,5-c]quinolin-4-amine

Database identifiers

PubChem CID: 21984429

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 82.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 382

Related reactions

12 records

New reaction record

HRID 9504As productuspto-grants-2006_08

HRID 9505As reactantuspto-grants-2006_08

HRID 9506As reactantuspto-grants-2006_08

HRID 9513As reactantuspto-grants-2006_08

HRID 701522As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 820940As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1135358As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1222838As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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