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Methyl 1-butyl-1,2,3,4-tetrahydroquinoline-7-carboxylate

HCID 21086131
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCN1CCCc2ccc(C(=O)OC)cc21
InChIKey
MTSLKRGZKVTCNY-UHFFFAOYSA-N
Molecular formula
C15H21NO2
Average molar mass
247.33 g/mol

Names & identifiers

Preferred name
Methyl 1-butyl-1,2,3,4-tetrahydroquinoline-7-carboxylate
IUPAC
methyl 1-butyl-3,4-dihydro-2H-quinoline-7-carboxylate

Names & synonyms

SCHEMBL3349263MTSLKRGZKVTCNY-UHFFFAOYSA-Nmethyl 1-butyl-1,2,3,4-tetrahydroquinoline-7-carboxylate

Database identifiers

PubChem CID
21086131

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Formal charge
0
Complexity
280

Related reactions

6 records
New reaction record
HRID 14242 reaction equation
HRID 14242As productuspto-grants-2010_06
HRID 14243 reaction equation
HRID 14243As reactantuspto-grants-2010_06
HRID 156298 reaction equation
HRID 156298As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 349032 reaction equation
HRID 349032As productuspto-grants-2007_02
HRID 349033 reaction equation
HRID 349033As reactantuspto-grants-2007_02
HRID 1213538 reaction equation
HRID 1213538As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes