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127966-63-6 | 3-Quinolinecarboxylic acid, 7-(3-amino-4-methyl-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-4-oxo-, cis- (9CI)
CAS No: 127966-63-6 Catalog No: AG000XLS MDL No:
Product Description
Catalog Number:
AG000XLS
Chemical Name:
3-Quinolinecarboxylic acid, 7-(3-amino-4-methyl-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-4-oxo-, cis- (9CI)
CAS Number:
127966-63-6
Molecular Formula:
C19H22FN3O3
Molecular Weight:
359.3947
IUPAC Name:
7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C19H22FN3O3/c1-9-6-22(8-15(9)21)17-10(2)16-12(5-14(17)20)18(24)13(19(25)26)7-23(16)11-3-4-11/h5,7,9,11,15H,3-4,6,8,21H2,1-2H3,(H,25,26)
InChI Key:
INNOJAOLWAIAQK-UHFFFAOYSA-N
SMILES:
N[C@@H]1CN(C[C@@H]1C)c1c(F)cc2c(c1C)n(cc(c2=O)C(=O)O)C1CC1
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.165g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
359.401g/mol
Monoisotopic Mass:
359.165g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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