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121998-11-6 | 1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(4-morpholinyl)-4-oxo-, ethyl ester
CAS No: 121998-11-6 Catalog No: AG0016IU MDL No:
Product Description
Catalog Number:
AG0016IU
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(4-morpholinyl)-4-oxo-, ethyl ester
CAS Number:
121998-11-6
Molecular Formula:
C17H20FN3O4
Molecular Weight:
349.3568
IUPAC Name:
ethyl 1-ethyl-6-fluoro-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
InChI:
InChI=1S/C17H20FN3O4/c1-3-20-10-12(17(23)25-4-2)14(22)11-9-13(18)16(19-15(11)20)21-5-7-24-8-6-21/h9-10H,3-8H2,1-2H3
InChI Key:
XLPVGVBNZPMHIQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(CC)c2c(c1=O)cc(c(n2)N1CCOCC1)F
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.144g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.362g/mol
Monoisotopic Mass:
349.144g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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