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Home > Quinoline > 179985-52-5
179985-52-5 | Acetamide, N-(4-cyano-3-methyl-1-isoquinolinyl)-
CAS No: 179985-52-5 Catalog No: AG0021JI MDL No:
Product Description
Catalog Number:
AG0021JI
Chemical Name:
Acetamide, N-(4-cyano-3-methyl-1-isoquinolinyl)-
CAS Number:
179985-52-5
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
IUPAC Name:
N-(4-cyano-3-methylisoquinolin-1-yl)acetamide
InChI:
InChI=1S/C13H11N3O/c1-8-12(7-14)10-5-3-4-6-11(10)13(15-8)16-9(2)17/h3-6H,1-2H3,(H,15,16,17)
InChI Key:
SRNACQXBALMDDC-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)nc(c2c1cccc2)NC(=O)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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