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Home > Quinoline > 925205-59-0
925205-59-0 | 4-Quinolinecarboxamide, N-[1-(1-oxido-4-pyridinyl)propyl]-2-phenyl-
CAS No: 925205-59-0 Catalog No: AG006HJ8 MDL No:
Product Description
Catalog Number:
AG006HJ8
Chemical Name:
4-Quinolinecarboxamide, N-[1-(1-oxido-4-pyridinyl)propyl]-2-phenyl-
CAS Number:
925205-59-0
Molecular Formula:
C24H21N3O2
Molecular Weight:
383.4424
IUPAC Name:
N-[1-(1-oxidopyridin-1-ium-4-yl)propyl]-2-phenylquinoline-4-carboxamide
InChI:
InChI=1S/C24H21N3O2/c1-2-21(18-12-14-27(29)15-13-18)26-24(28)20-16-23(17-8-4-3-5-9-17)25-22-11-7-6-10-19(20)22/h3-16,21H,2H2,1H3,(H,26,28)
InChI Key:
DZZFQGYUOPSJPB-UHFFFAOYSA-N
SMILES:
CCC(c1cc[n+](cc1)[O-])NC(=O)c1cc(nc2c1cccc2)c1ccccc1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.163g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.451g/mol
Monoisotopic Mass:
383.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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