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101133-49-7 | 5H-Thiazolo[3,2-a]quinoline-4-carboxylic acid, 7-fluoro-1,2-dihydro-8-[3-[[(2-hydroxyethyl)amino]methyl]-1-pyrrolidinyl]-5-oxo-
CAS No: 101133-49-7 Catalog No: AG0003TR MDL No:
Product Description
Catalog Number:
AG0003TR
Chemical Name:
5H-Thiazolo[3,2-a]quinoline-4-carboxylic acid, 7-fluoro-1,2-dihydro-8-[3-[[(2-hydroxyethyl)amino]methyl]-1-pyrrolidinyl]-5-oxo-
CAS Number:
101133-49-7
Molecular Formula:
C19H22FN3O4S
Molecular Weight:
407.4591
IUPAC Name:
7-methyl-2-oxo-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C11H9NO3/c1-6-2-3-7-5-8(11(14)15)10(13)12-9(7)4-6/h2-5H,1H3,(H,12,13)(H,14,15)
InChI Key:
UXAQYUDMBYSMOP-UHFFFAOYSA-N
SMILES:
OCCNCC1CCN(C1)c1cc2c(cc1F)c(=O)c(c1n2CCS1)C(=O)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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