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80845-35-8 | 2(1H)-Quinolinone, 3,4-dihydro-1-methyl-6-(1-oxo-3-(4-phenyl-1-piperaz inyl)propyl)-, ethanedioate (1
CAS No: 80845-35-8 Catalog No: AG00GEFQ MDL No:
Product Description
Catalog Number:
AG00GEFQ
Chemical Name:
2(1H)-Quinolinone, 3,4-dihydro-1-methyl-6-(1-oxo-3-(4-phenyl-1-piperaz inyl)propyl)-, ethanedioate (1
CAS Number:
80845-35-8
IUPAC Name:
1-methyl-6-[3-(4-phenylpiperazin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one;oxalic acid
InChI:
InChI=1S/C23H27N3O2.C2H2O4/c1-24-21-9-7-19(17-18(21)8-10-23(24)28)22(27)11-12-25-13-15-26(16-14-25)20-5-3-2-4-6-20;3-1(4)2(5)6/h2-7,9,17H,8,10-16H2,1H3;(H,3,4)(H,5,6)
InChI Key:
NYLVENKVJOFKLE-UHFFFAOYSA-N
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.206g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
467.522g/mol
Monoisotopic Mass:
467.206g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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