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101617-91-8,MFCD02740422
Catalog No.:AA0004WL
101617-91-8 | 2-Chloro-6-methoxyquinoline-3-carbonitrile
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0004WL
Chemical Name:
2-Chloro-6-methoxyquinoline-3-carbonitrile
CAS Number:
101617-91-8
Molecular Formula:
C11H7ClN2O
Molecular Weight:
218.6391
MDL Number:
MFCD02740422
IUPAC Name:
2-chloro-6-methoxyquinoline-3-carbonitrile
InChI:
InChI=1S/C11H7ClN2O/c1-15-9-2-3-10-7(5-9)4-8(6-13)11(12)14-10/h2-5H,1H3
InChI Key:
AMFXVCDHDIEGIM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(c(n2)Cl)C#N
Properties
Computed Properties
 
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.025g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.64g/mol
Monoisotopic Mass:
218.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
2-Chloro-6-methoxyquinoline-3-carbonitrile 
101617-91-8 
Oprea1_231687 
Oprea1_650306 
cid_865612 
SCHEMBL1289560 
CHEMBL1349554 
BDBM63387 
CTK4A0015 
PKCBB_00174 
DTXSID80357721 
AMFXVCDHDIEGIM-UHFFFAOYSA-N 
MLS000693020 
HMS1620L19 
HMS2638D17 
HMS3362B18 
QU067 
ZINC422210 
ZX-AT018687 
2-chloro-3-cyano-6-methoxyquinoline 
MFCD02740422 
OR3636 
AKOS000589750 
2-Chloro-6-methoxy-quinoline-3-carbonitrile 
AB12692 
MCULE-4628491644 
DB-058621 
RT-007651 
FT-0726309 
ST50262245 
T6107 
3-Quinolinecarbonitrile, 2-chloro-6-methoxy- 
AZ0001-0353 
2-chloranyl-6-methoxy-quinoline-3-carbonitrile 
3-Quinolinecarbonitrile,2-chloro-6-methoxy- 
2-chloro-6-methoxyquinoline-3-carbonitrile, AldrichCPR 
CID865612 
SMR000285896 
2-CHLORO-6-METHOXY-3-QUINOLINECARBONITRILE 
AC1LHMGD 
BAS 02223484 
ACMC-20dz2m 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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