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Home > Aldehydes > 110719-57-8
110719-57-8 | 3-Quinolinecarboxaldehyde,1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
CAS No: 110719-57-8 Catalog No: AG007C7Z MDL No:
Product Description
Catalog Number:
AG007C7Z
Chemical Name:
3-Quinolinecarboxaldehyde,1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
CAS Number:
110719-57-8
Molecular Formula:
C17H18FN3O2
Molecular Weight:
315.3421
IUPAC Name:
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carbaldehyde
InChI:
InChI=1S/C17H18FN3O2/c18-14-7-13-15(8-16(14)20-5-3-19-4-6-20)21(12-1-2-12)9-11(10-22)17(13)23/h7-10,12,19H,1-6H2
InChI Key:
VONPFCWZOZLFSZ-UHFFFAOYSA-N
SMILES:
O=Cc1cn(C2CC2)c2c(c1=O)cc(c(c2)N1CCNCC1)F
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.138g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.348g/mol
Monoisotopic Mass:
315.138g/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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