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6-([3-Piperazin-1-yl]-azetidin-1-yl)carbonyl-1,2,3,4-tetrahydroquinoline

HCID 59625907
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1ccc2c(c1)CCCN2)N1CC(N2CCNCC2)C1
InChIKey
QUZNAIMNUVUEGN-UHFFFAOYSA-N
Molecular formula
C17H24N4O
Average molar mass
300.4 g/mol

Names & identifiers

Preferred name
6-([3-Piperazin-1-yl]-azetidin-1-yl)carbonyl-1,2,3,4-tetrahydroquinoline
IUPAC
(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone

Names & synonyms

6-([3-piperazin-1-yl]-azetidin-1-yl)carbonyl-1,2,3,4-tetrahydroquinoline6-[(3-piperazin-1-yl]-azetidin-1-yl)carbonyl-1,2,3,4-tetrahydroquinolineSCHEMBL698914QUZNAIMNUVUEGN-UHFFFAOYSA-N

Database identifiers

PubChem CID
59625907

Properties

Computed structural properties

XLogP
1
Topological polar surface area
47.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Formal charge
0
Complexity
403

Related reactions

16 records
New reaction record
HRID 401647 reaction equation
HRID 401647As productuspto-grants-2014_06
HRID 401653 reaction equation
HRID 401653As reactantuspto-grants-2014_06
HRID 468119 reaction equation
HRID 468119As productuspto-grants-2014_01
HRID 822992 reaction equation
HRID 822992As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1023068 reaction equation
HRID 1023068As productuspto-grants-2014_05
HRID 1023074 reaction equation
HRID 1023074As reactantuspto-grants-2014_05
HRID 1852601 reaction equation
HRID 1852601As productuspto-grants-2015_02
HRID 1852607 reaction equation
HRID 1852607As reactantuspto-grants-2015_02
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Compound notes

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