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Home > Indoles and Oxindole > 184691-47-2
184691-47-2 | 1H-Pyrido[3,4-b]indole-1,3(2H)-dione, 4,9-dihydro-9-methyl-2-[3-(4-phenyl-1-piperazinyl)propyl]-
CAS No: 184691-47-2 Catalog No: AG00752F MDL No:
Product Description
Catalog Number:
AG00752F
Chemical Name:
1H-Pyrido[3,4-b]indole-1,3(2H)-dione, 4,9-dihydro-9-methyl-2-[3-(4-phenyl-1-piperazinyl)propyl]-
CAS Number:
184691-47-2
Molecular Formula:
C25H28N4O2
Molecular Weight:
416.5154
IUPAC Name:
9-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-4H-pyrido[3,4-b]indole-1,3-dione
InChI:
InChI=1S/C25H28N4O2/c1-26-22-11-6-5-10-20(22)21-18-23(30)29(25(31)24(21)26)13-7-12-27-14-16-28(17-15-27)19-8-3-2-4-9-19/h2-6,8-11H,7,12-18H2,1H3
InChI Key:
QQIOSSVBPBYDLX-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(C(=O)N1CCCN1CCN(CC1)c1ccccc1)n(c1c2cccc1)C
Properties
Complexity:
656
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.525g/mol
Monoisotopic Mass:
416.221g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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