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82793-82-6 | 4-(5-ethenyl1-azabicyclo[2.2.2]octane-7-carbonyl)-6-methoxy-1H-quinolin-2-one
CAS No: 82793-82-6 Catalog No: AG008IJ6 MDL No:
Product Description
Catalog Number:
AG008IJ6
Chemical Name:
4-(5-ethenyl1-azabicyclo[2.2.2]octane-7-carbonyl)-6-methoxy-1H-quinolin-2-one
CAS Number:
82793-82-6
Molecular Formula:
C20H22N2O3
Molecular Weight:
338.4003
IUPAC Name:
4-(5-ethenyl-1-azabicyclo[2.2.2]octane-2-carbonyl)-6-methoxy-1H-quinolin-2-one
InChI:
InChI=1S/C20H22N2O3/c1-3-12-11-22-7-6-13(12)8-18(22)20(24)16-10-19(23)21-17-5-4-14(25-2)9-15(16)17/h3-5,9-10,12-13,18H,1,6-8,11H2,2H3,(H,21,23)
InChI Key:
FOJSOGQMXVIEFB-UHFFFAOYSA-N
SMILES:
C=CC1CN2CCC1CC2C(=O)c1cc(=O)[nH]c2c1cc(OC)cc2
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.407g/mol
Monoisotopic Mass:
338.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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