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Home > Indoles and Oxindole > 91047-90-4
91047-90-4 | Piperidine, 1-[[2-(1H-indol-3-yl)-4-quinolinyl]carbonyl]-
CAS No: 91047-90-4 Catalog No: AG006FFW MDL No:
Product Description
Catalog Number:
AG006FFW
Chemical Name:
Piperidine, 1-[[2-(1H-indol-3-yl)-4-quinolinyl]carbonyl]-
CAS Number:
91047-90-4
Molecular Formula:
C23H21N3O
Molecular Weight:
355.4323
IUPAC Name:
[2-(1H-indol-3-yl)quinolin-4-yl]-piperidin-1-ylmethanone
InChI:
InChI=1S/C23H21N3O/c27-23(26-12-6-1-7-13-26)18-14-22(25-21-11-5-3-8-16(18)21)19-15-24-20-10-4-2-9-17(19)20/h2-5,8-11,14-15,24H,1,6-7,12-13H2
InChI Key:
DFFYKEGPBYKZGW-UHFFFAOYSA-N
SMILES:
O=C(c1cc(nc2c1cccc2)c1c[nH]c2c1cccc2)N1CCCCC1
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.168g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.441g/mol
Monoisotopic Mass:
355.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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