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149105-53-3 | Benzo[b][1,8]naphthyridine-3-carboxylic acid, 8-(3-amino-3-methyl-1-azetidinyl)-7-fluoro-1,4-dihydro-1-methyl-4-oxo-
CAS No: 149105-53-3 Catalog No: AG001LDQ MDL No:
Product Description
Catalog Number:
AG001LDQ
Chemical Name:
Benzo[b][1,8]naphthyridine-3-carboxylic acid, 8-(3-amino-3-methyl-1-azetidinyl)-7-fluoro-1,4-dihydro-1-methyl-4-oxo-
CAS Number:
149105-53-3
Molecular Formula:
C18H17FN4O3
Molecular Weight:
356.3510
IUPAC Name:
8-(3-amino-3-methylazetidin-1-yl)-7-fluoro-1-methyl-4-oxobenzo[b][1,8]naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C18H17FN4O3/c1-18(20)7-23(8-18)14-5-13-9(4-12(14)19)3-10-15(24)11(17(25)26)6-22(2)16(10)21-13/h3-6H,7-8,20H2,1-2H3,(H,25,26)
InChI Key:
DXXRUGBJXBQBCB-UHFFFAOYSA-N
SMILES:
Fc1cc2cc3c(nc2cc1N1CC(C1)(C)N)n(C)cc(c3=O)C(=O)O
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.128g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.357g/mol
Monoisotopic Mass:
356.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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