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Home > Indoles and Oxindole > 75410-87-6
75410-87-6 | 2-(4-(3-INDOLYLMETHYL)-(PIPERAZIN-1-YL))QUINOLINE DIMALEATE
CAS No: 75410-87-6 Catalog No: AG005LG0 MDL No:
Product Description
Catalog Number:
AG005LG0
Chemical Name:
2-(4-(3-INDOLYLMETHYL)-(PIPERAZIN-1-YL))QUINOLINE DIMALEATE
CAS Number:
75410-87-6
Molecular Formula:
C30H30N4O8
Molecular Weight:
574.5812
IUPAC Name:
but-2-enedioic acid;2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]quinoline
InChI:
InChI=1S/C22H22N4.2C4H4O4/c1-3-7-20-17(5-1)9-10-22(24-20)26-13-11-25(12-14-26)16-18-15-23-21-8-4-2-6-19(18)21;2*5-3(6)1-2-4(7)8/h1-10,15,23H,11-14,16H2;2*1-2H,(H,5,6)(H,7,8)
InChI Key:
INMCDUCTFZHWNP-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc(cc2)N1CCN(CC1)Cc1c[nH]c2c1cccc2.OC(=O)/C=C\C(=O)O.OC(=O)/C=C\C(=O)O
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
574.206g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
574.59g/mol
Monoisotopic Mass:
574.206g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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