Home Carboxys 3-?quinolinecarboxylic acid, 1-?(6-?amino-?3,?5-?difluoro-?2-?pyridinyl)?-?6-?fluoro-?1,?4-?dihydro-?7-?[3-?(2-?methyl?-?1-?azetidinyl]?-?4-?oxo-?, ethyl ester

3-?quinolinecarboxylic acid, 1-?(6-?amino-?3,?5-?difluoro-?2-?pyridinyl)?-?6-?fluoro-?1,?4-?dihydro-?7-?[3-?(2-?methyl?-?1-?azetidinyl]?-?4-?oxo-?, ethyl ester

CAS No.:
1788043-98-0
Catalog Number:
AG00IKMA
Molecular Formula:
C20H17F3N4O4
Molecular Weight:
434.3686
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Product Description
Catalog Number:
AG00IKMA
Chemical Name:
3-?quinolinecarboxylic acid, 1-?(6-?amino-?3,?5-?difluoro-?2-?pyridinyl)?-?6-?fluoro-?1,?4-?dihydro-?7-?[3-?(2-?methyl?-?1-?azetidinyl]?-?4-?oxo-?, ethyl ester
CAS Number:
1788043-98-0
Molecular Formula:
C20H17F3N4O4
Molecular Weight:
434.3686
IUPAC Name:
ethyl 1-(6-amino-3,5-difluoropyridin-2-yl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylate
InChI:
InChI=1S/C20H17F3N4O4/c1-2-31-20(30)11-8-27(19-14(23)4-13(22)18(24)25-19)15-5-16(26-6-9(28)7-26)12(21)3-10(15)17(11)29/h3-5,8-9,28H,2,6-7H2,1H3,(H2,24,25)
InChI Key:
RGDIERBYGBKOBA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(c2nc(N)c(cc2F)F)c2c(c1=O)cc(c(c2)N1CC(C1)O)F
Properties
Complexity:
750  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.12g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
434.375g/mol
Monoisotopic Mass:
434.12g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties