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2-(Propargyloxy)ethyl 5-chloroquinolin-8-oxyacetate

HCID 18947640
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C#CCOCCOC(=O)COc1ccc(Cl)c2cccnc12
InChIKey
OJLDPVOHXBHZJD-UHFFFAOYSA-N
Molecular formula
C16H14ClNO4
Average molar mass
319.74 g/mol

Names & identifiers

Preferred name
2-(Propargyloxy)ethyl 5-chloroquinolin-8-oxyacetate
IUPAC
2-prop-2-ynoxyethyl 2-(5-chloroquinolin-8-yl)oxyacetate

Names & synonyms

SCHEMBL9131736OJLDPVOHXBHZJD-UHFFFAOYSA-N2-(propargyloxy)ethyl 5-chloroquinolin-8-oxyacetate

Database identifiers

PubChem CID
18947640

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
57.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
22
Formal charge
0
Complexity
408

Related reactions

2 records
New reaction record
HRID 136245 reaction equation
HRID 136245As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1769262 reaction equation
HRID 1769262As productuspto-grants-1995_01

Compound notes

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