3-Quinolinecarboxylic acid, 4-chloro-8-methoxy-, ethyl ester

HCID 304557CAS 27568-05-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1cnc2c(OC)cccc2c1Cl
InChIKey
BBOZDELEERNECG-UHFFFAOYSA-N
Molecular formula
C13H12ClNO3
Average molar mass
265.69 g/mol
Monoisotopic mass
265.05057092

Names & identifiers

Preferred name
3-Quinolinecarboxylic acid, 4-chloro-8-methoxy-, ethyl ester
IUPAC
ethyl 4-chloro-8-methoxyquinoline-3-carboxylate
English name
ethyl 4-chloro-8-methoxy-quinoline-3-carboxylate
Molecular formula
C13H12ClNO3
Molecular weight
265.69

Names & synonyms

27568-05-43-Quinolinecarboxylic acid, 4-chloro-8-methoxy-, ethyl esterRefChem:1068780ethyl 4-chloro-8-methoxyquinoline-3-carboxylateMFCD00173395ethyl 4-chloro-8-methoxy-quinoline-3-carboxylateethyl 4-chloro-8-methoxy-3-quinolinecarboxylateNSC1969064-Chloro-8-methoxyquinoline-3-carboxylic acid ethyl esterEthyl4-chloro-8-methoxyquinoline-3-carboxylateOprea1_017505SCHEMBL774503
Show more names
4-Chloro-8-methoxy-quinoline-3-carboxylic acid ethyl esterDTXSID70307937BBOZDELEERNECG-UHFFFAOYSA-NBBL009954SBB079125STK711104AKOS000167178ethyl 1-chloro-5-methoxy-2-naphthoate

Database identifiers

CAS
27568-05-4
PubChem CID
304557
DTXSID
DTXSID70307937

Properties

Computed structural properties

XLogP
3
Topological polar surface area
48.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
18

Physicochemical properties

Melting point
77 · 77-78 °C
Boiling point
366.9 · 366.9±37.0 °C(Predicted)
Density
1.282 · 1.282±0.06 g/cm3(Predicted)
storage temp.
2 · Storage temp. 2-8°C
pka
0.08 · 0.08±0.41(Predicted)
Appearance
Off-white to light yellow Solid

Safety & regulation

Safety data

hs_code
2933499090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

UsesEthyl 4-chloro-8-methoxyquinoline-3-carboxylate is used as medical intermediates.

Upstream & downstream products

Suppliers38 total

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]

Related reactions

195 records
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Linked notes

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