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84424-09-9

84424-09-9 | 7-(3-AMINOPYRROLIDIN-1-YL)-1-VINYL-6-FLUORO-4-OXO-1,8-NAPHTHYRIDINE- 3-CARBOXYLIC ACID

CAS No: 84424-09-9 Catalog No: AG0055QZ MDL No:

Product Description

Catalog Number:
AG0055QZ
Chemical Name:
7-(3-AMINOPYRROLIDIN-1-YL)-1-VINYL-6-FLUORO-4-OXO-1,8-NAPHTHYRIDINE- 3-CARBOXYLIC ACID
CAS Number:
84424-09-9
Molecular Formula:
C15H15FN4O3
Molecular Weight:
318.3030
IUPAC Name:
7-(3-aminopyrrolidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C15H15FN4O3/c1-2-19-7-10(15(22)23)12(21)9-5-11(16)14(18-13(9)19)20-4-3-8(17)6-20/h2,5,7-8H,1,3-4,6,17H2,(H,22,23)
InChI Key:
WYLIRDAEYNYJBU-UHFFFAOYSA-N
SMILES:
C=Cn1cc(C(=O)O)c(=O)c2c1nc(N1CCC(C1)N)c(c2)F

Properties

Complexity:
567  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.113g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
318.308g/mol
Monoisotopic Mass:
318.113g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

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