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1616064-45-9 | 1-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-4-(quinolin-8-yl)piperazin-2-one
CAS No: 1616064-45-9 Catalog No: AG00AMPR MDL No:
Product Description
Catalog Number:
AG00AMPR
Chemical Name:
1-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-4-(quinolin-8-yl)piperazin-2-one
CAS Number:
1616064-45-9
IUPAC Name:
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-quinolin-8-ylpiperazin-2-one
InChI:
InChI=1S/C25H28N4O2/c30-22(16-27-12-10-19-5-1-2-6-21(19)15-27)17-29-14-13-28(18-24(29)31)23-9-3-7-20-8-4-11-26-25(20)23/h1-9,11,22,30H,10,12-18H2
InChI Key:
JBBUNYHTLRNBRT-UHFFFAOYSA-N
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.221g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
416.525g/mol
Monoisotopic Mass:
416.221g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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