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Ethyl 4-hydroxy-6-propoxyquinoline-3-carboxylate

HCID 178458202
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCOc1ccc2ncc(C(=O)OCC)c(O)c2c1
InChIKey
PUFMQPUHPLXYCE-UHFFFAOYSA-N
Molecular formula
C15H17NO4
Average molar mass
275.3 g/mol
Monoisotopic mass
275.11575802

Names & identifiers

Preferred name
Ethyl 4-hydroxy-6-propoxyquinoline-3-carboxylate
IUPAC
ethyl 4-oxo-6-propoxy-1H-quinoline-3-carboxylate

Names & synonyms

SCHEMBL620990PUFMQPUHPLXYCE-UHFFFAOYSA-Nethyl 4-hydroxy-6-propoxyquinoline-3-carboxylate

Database identifiers

PubChem CID
13758047

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
20
Formal charge
0
Complexity
405

Related reactions

5 records
New reaction record
HRID 1211136 reaction equation
HRID 1211136As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1466995 reaction equation
HRID 1466995As productuspto-grants-2015_04
HRID 2047734 reaction equation
HRID 2047734As reactantuspto-grants-2013_11
HRID 2047735 reaction equation
HRID 2047735As productuspto-grants-2013_11
HRID 2169846 reaction equation
HRID 2169846As reactantuspto-grants-2015_06

Compound notes

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