Ethyl 6-methoxyquinoline-3-carboxylate

HCID 304668
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Basic information

CAS
26660-48-0
Standard SMILES
CCOC(=O)c1cnc2ccc(OC)cc2c1
InChIKey
NUBYMKNFTIBVKU-UHFFFAOYSA-N
Molecular formula
C13H13NO3
Average molar mass
231.25 g/mol
Monoisotopic mass
231.08954328

Names & identifiers

Preferred name
Ethyl 6-methoxyquinoline-3-carboxylate
IUPAC
ethyl 6-methoxyquinoline-3-carboxylate
English name
6-Methoxyquinoline-3-carboxylic acid ethyl ester
Molecular formula
C13H13NO3
Molecular weight
231.25

Names & synonyms

ethyl 6-methoxyquinoline-3-carboxylate26660-48-0Ethyl6-methoxyquinoline-3-carboxylateNSC201246SCHEMBL545163DTXSID90307994NUBYMKNFTIBVKU-UHFFFAOYSA-N3-ethoxycarbonyl-6-methoxyquinoline6-methoxy-3-ethoxycarbonylquinolineNSC-201246SB69536Ethyl 6-methoxyquinoline-3-carboxylate, 97%
Show more names
6-Methoxyquinoline-3-carboxylic acid ethyl ester3-Quinolinecarboxylic acid, 6-methoxy-, ethyl ester

Database identifiers

CAS
26660-48-0
PubChem CID
304668
DTXSID
DTXSID90307994
Nikkaji
J2.699.477B

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
48.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17

Physicochemical properties

Melting point
203 · 203-205 °C
Boiling point
349 · 349.0±22.0 °C(Predicted)
Density
1.184 · 1.184±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
3.25 · 3.25±0.14(Predicted)
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers7 total

上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Shangchem Co., Ltd.+86-21-68182121
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]

Related reactions

12 records
New reaction record

Compound notes

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