Home Halogens Benzeneacetonitrile, 4-(8-bromo-2,3-dihydro-3-methyl-2-oxo-1H-imidazo[4,5-c]quinolin-1-yl)-.alpha.,.alpha.-dimethyl-

Benzeneacetonitrile, 4-(8-bromo-2,3-dihydro-3-methyl-2-oxo-1H-imidazo[4,5-c]quinolin-1-yl)-.alpha.,.alpha.-dimethyl-

CAS No.:
915019-50-0
Catalog Number:
AG00GU1L
Molecular Formula:
C21H17BrN4O
Molecular Weight:
421.2899
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Product Description
Catalog Number:
AG00GU1L
Chemical Name:
Benzeneacetonitrile, 4-(8-bromo-2,3-dihydro-3-methyl-2-oxo-1H-imidazo[4,5-c]quinolin-1-yl)-.alpha.,.alpha.-dimethyl-
CAS Number:
915019-50-0
Molecular Formula:
C21H17BrN4O
Molecular Weight:
421.2899
MDL Number:
MFCD12406066
IUPAC Name:
2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile
InChI:
InChI=1S/C21H17BrN4O/c1-21(2,12-23)13-4-7-15(8-5-13)26-19-16-10-14(22)6-9-17(16)24-11-18(19)25(3)20(26)27/h4-11H,1-3H3
InChI Key:
AEWUWGWDTHMGQU-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)n1c(=O)n(c2c1c1cc(Br)ccc1nc2)C)(C)C
Properties
Complexity:
635  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.059g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.298g/mol
Monoisotopic Mass:
420.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties