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855165-86-5 | Acetamide,N-(4-cyano-2,3-dimethyl-6-quinolinyl)-
CAS No: 855165-86-5 Catalog No: AG004ROS MDL No:
Product Description
Catalog Number:
AG004ROS
Chemical Name:
Acetamide,N-(4-cyano-2,3-dimethyl-6-quinolinyl)-
CAS Number:
855165-86-5
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
N-(4-cyano-2,3-dimethylquinolin-6-yl)acetamide
InChI:
InChI=1S/C14H13N3O/c1-8-9(2)16-14-5-4-11(17-10(3)18)6-12(14)13(8)7-15/h4-6H,1-3H3,(H,17,18)
InChI Key:
GKGWNSHGQHTCKN-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)c(C)nc2c1cc(cc2)NC(=O)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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