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4-Chloro-7-ethoxyquinoline

CAT: 0804-HY-W098807Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W098807Size:1 Each
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Description
4-Chloro-7-ethoxyquinoline (Compound 9a), a quinolone derivative, is an anticancer agent. 4-Chloro-7-ethoxyquinoline can inhibit proliferation of HCT-116, RKO, DLD1, HepG2, BGC-823, NCI-H1650 and SK-OV-3 cells with IC50 values of 3.16, 3.87, 2.75, 2.66, 3.91, 3.34 and 3.46μM[1].
CAS Number
178984-50-4
UNSPSC
12352005
Hazard Statement
H302-H315-H318-H335
Target
Drug Derivative
Related Pathways
Others
Field of Research
Cancer
Smiles
ClC=1C=CN=C2C=C(OCC)C=CC12
Molecular Formula
C11H10ClNO
Molecular Weight
207.66
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Li S, et al. Design, synthesis, structure-activity relationships and mechanism of action of new quinoline derivatives as potential antitumor agents. Eur J Med Chem. 2019 Jan 15;162:666-678.
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

4-Chloro-7-ethoxyquinoline
CAS Number178984-50-4
PubChem CID66487247
IUPAC Name4-chloro-7-ethoxyquinoline
Molecular FormulaC11H10ClNO
Molecular Weight207.65
XLogP3.3
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity188
SMILES
CCOC1=CC2=NC=CC(=C2C=C1)Cl
InChI
InChI=1S/C11H10ClNO/c1-2-14-8-3-4-9-10(12)5-6-13-11(9)7-8/h3-7H,2H2,1H3
InChIKey
KXQRJBISXXFVNK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-7-ethoxyquinoline
CAS: 178984-50-4
CID: 66487247
Formula: C11H10ClNO
MW: 207.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.65
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass207.0450916
Monoisotopic Mass207.0450916
Topological Polar Surface Area22.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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