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Home > Aldehydes > 110719-56-7
110719-56-7 | 3-Quinolinecarboxaldehyde,1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
CAS No: 110719-56-7 Catalog No: AG007U6L MDL No:
Product Description
Catalog Number:
AG007U6L
Chemical Name:
3-Quinolinecarboxaldehyde,1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
CAS Number:
110719-56-7
Molecular Formula:
C16H18FN3O2
Molecular Weight:
303.3314
IUPAC Name:
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carbaldehyde
InChI:
InChI=1S/C16H18FN3O2/c1-2-19-9-11(10-21)16(22)12-7-13(17)15(8-14(12)19)20-5-3-18-4-6-20/h7-10,18H,2-6H2,1H3
InChI Key:
WZGKLDAQBCEGIR-UHFFFAOYSA-N
SMILES:
O=Cc1cn(CC)c2c(c1=O)cc(c(c2)N1CCNCC1)F
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.138g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.337g/mol
Monoisotopic Mass:
303.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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