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8-Amino-6-methoxy-4-methyl-5-(4-phenylbutoxy)quinoline

HCID 609145
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(N)c2nccc(C)c2c1OCCCCc1ccccc1
InChIKey
RZCXZBUCDFSRLU-UHFFFAOYSA-N
Molecular formula
C21H24N2O2
Average molar mass
336.4 g/mol

Names & identifiers

Preferred name
8-Amino-6-methoxy-4-methyl-5-(4-phenylbutoxy)quinoline
IUPAC
6-methoxy-4-methyl-5-(4-phenylbutoxy)quinolin-8-amine

Names & synonyms

8-amino-6-methoxy-4-methyl-5-(4-phenylbutoxy)quinoline8-Amino-6-methoxy-4-methyl-5-[4-phenylbutoxy]quinolineSCHEMBL97191428-amino-6methoxy-4-methyl-5-(4-phenylbutoxy)quinoline6-Methoxy-4-methyl-5-(4-phenylbutoxy)-8-quinolinamine #

Database identifiers

PubChem CID
609145

Properties

Computed structural propertiesFilling in

XLogP
4.5
Topological polar surface area
57.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
25
Formal charge
0
Complexity
386

Related reactions

6 records
New reaction record
HRID 194783 reaction equation
HRID 194783As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1030187 reaction equation
HRID 1030187As productuspto-grants-1992_04
HRID 1030188 reaction equation
HRID 1030188As reactantuspto-grants-1992_04
HRID 1111390 reaction equation
HRID 1111390As productuspto-grants-1990_12
HRID 1111391 reaction equation
HRID 1111391As reactantuspto-grants-1990_12
HRID 2135151 reaction equation
HRID 2135151As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes