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113704-35-1 | Methanone, [4-(4-amino-6,7-dimethoxy-2-quinolinyl)-1-piperazinyl]phenyl-
CAS No: 113704-35-1 Catalog No: AG0009EJ MDL No:
Product Description
Catalog Number:
AG0009EJ
Chemical Name:
Methanone, [4-(4-amino-6,7-dimethoxy-2-quinolinyl)-1-piperazinyl]phenyl-
CAS Number:
113704-35-1
Molecular Formula:
C22H24N4O3
Molecular Weight:
392.4510
IUPAC Name:
[4-(4-amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-phenylmethanone
InChI:
InChI=1S/C22H24N4O3/c1-28-19-12-16-17(23)13-21(24-18(16)14-20(19)29-2)25-8-10-26(11-9-25)22(27)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,23,24)
InChI Key:
OSYWJTLQNPVIKQ-UHFFFAOYSA-N
SMILES:
COc1cc2nc(cc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccccc1
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.185g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.459g/mol
Monoisotopic Mass:
392.185g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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