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80834-58-8 | 2(1H)-Quinolinone, 3,4-dihydro-6-(4-(4-phenyl-1-piperazinyl)-1-butenyl )-
CAS No: 80834-58-8 Catalog No: AG00GEGI MDL No:
Product Description
Catalog Number:
AG00GEGI
Chemical Name:
2(1H)-Quinolinone, 3,4-dihydro-6-(4-(4-phenyl-1-piperazinyl)-1-butenyl )-
CAS Number:
80834-58-8
IUPAC Name:
6-[(E)-4-(4-phenylpiperazin-1-yl)but-1-enyl]-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C23H27N3O/c27-23-12-10-20-18-19(9-11-22(20)24-23)6-4-5-13-25-14-16-26(17-15-25)21-7-2-1-3-8-21/h1-4,6-9,11,18H,5,10,12-17H2,(H,24,27)/b6-4+
InChI Key:
LMCXNHCNKDRPES-GQCTYLIASA-N
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
361.215g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.489g/mol
Monoisotopic Mass:
361.215g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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