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Home > Aldehydes > 110719-58-9
110719-58-9 | 3-Quinolinecarboxaldehyde,1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-
CAS No: 110719-58-9 Catalog No: AG0083HG MDL No:
Product Description
Catalog Number:
AG0083HG
Chemical Name:
3-Quinolinecarboxaldehyde,1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-
CAS Number:
110719-58-9
Molecular Formula:
C17H20FN3O2
Molecular Weight:
317.3580
IUPAC Name:
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbaldehyde
InChI:
InChI=1S/C17H20FN3O2/c1-3-20-10-12(11-22)17(23)13-8-14(18)16(9-15(13)20)21-6-4-19(2)5-7-21/h8-11H,3-7H2,1-2H3
InChI Key:
RZFDKMXDZDVEQQ-UHFFFAOYSA-N
SMILES:
CCn1cc(C=O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.154g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.364g/mol
Monoisotopic Mass:
317.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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