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89007-26-1 | Piperazine, 1-(phenylacetyl)-4-(2-quinolinyl)-
CAS No: 89007-26-1 Catalog No: AG0044U5 MDL No:
Product Description
Catalog Number:
AG0044U5
Chemical Name:
Piperazine, 1-(phenylacetyl)-4-(2-quinolinyl)-
CAS Number:
89007-26-1
Molecular Formula:
C21H21N3O
Molecular Weight:
331.4109
IUPAC Name:
2-phenyl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
InChI:
InChI=1S/C21H21N3O/c25-21(16-17-6-2-1-3-7-17)24-14-12-23(13-15-24)20-11-10-18-8-4-5-9-19(18)22-20/h1-11H,12-16H2
InChI Key:
RDLPCJKGFMGNNV-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccc2c(n1)cccc2)Cc1ccccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.419g/mol
Monoisotopic Mass:
331.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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