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Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate

HCID 67009555
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1cc2ccccc2n(C)c1=O
InChIKey
BSVJRLROVPUTMM-UHFFFAOYSA-N
Molecular formula
C13H13NO3
Average molar mass
231.25 g/mol

Names & identifiers

Preferred name
Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
IUPAC
ethyl 1-methyl-2-oxoquinoline-3-carboxylate

Names & synonyms

SCHEMBL1372534ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylateBSVJRLROVPUTMM-UHFFFAOYSA-N1239164-76-1

Database identifiers

PubChem CID
67009555
Nikkaji
J3.261.610K

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
362

Related reactions

4 records
New reaction record
HRID 684700 reaction equation
HRID 684700As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1231362 reaction equation
HRID 1231362As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2194504 reaction equation
HRID 2194504As productuspto-grants-2012_12
HRID 2194505 reaction equation
HRID 2194505As reactantuspto-grants-2012_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes