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Home > Imidazoles > 102791-74-2
102791-74-2 | 6-(2,4-dimethylimidazol-1-yl)-8-methyl-1H-quinolin-2-one; methanesulfonic acid
CAS No: 102791-74-2 Catalog No: AG0086AZ MDL No:
Product Description
Catalog Number:
AG0086AZ
Chemical Name:
6-(2,4-dimethylimidazol-1-yl)-8-methyl-1H-quinolin-2-one; methanesulfonic acid
CAS Number:
102791-74-2
Molecular Formula:
C16H19N3O4S
Molecular Weight:
349.4048
IUPAC Name:
6-(2,4-dimethylimidazol-1-yl)-8-methyl-1H-quinolin-2-one;methanesulfonic acid
InChI:
InChI=1S/C15H15N3O.CH4O3S/c1-9-6-13(18-8-10(2)16-11(18)3)7-12-4-5-14(19)17-15(9)12;1-5(2,3)4/h4-8H,1-3H3,(H,17,19);1H3,(H,2,3,4)
InChI Key:
OZIIHULZOTWACX-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.Cc1cn(c(n1)C)c1cc(C)c2c(c1)ccc(=O)[nH]2
UNII:
O345A477QI
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.405g/mol
Monoisotopic Mass:
349.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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