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127294-64-8

127294-64-8 | 3-Quinolinecarboxylic acid, 7-(3-amino-1-piperidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-

CAS No: 127294-64-8 Catalog No: AG000WWG MDL No:

Product Description

Catalog Number:
AG000WWG
Chemical Name:
3-Quinolinecarboxylic acid, 7-(3-amino-1-piperidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-
CAS Number:
127294-64-8
Molecular Formula:
C19H22FN3O4
Molecular Weight:
375.3941
IUPAC Name:
7-(3-aminopiperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C19H22FN3O4/c1-27-18-15-12(7-14(20)16(18)22-6-2-3-10(21)8-22)17(24)13(19(25)26)9-23(15)11-4-5-11/h7,9-11H,2-6,8,21H2,1H3,(H,25,26)
InChI Key:
RWZYKNVFWKZWDX-UHFFFAOYSA-N
SMILES:
COc1c(N2CCCC(C2)N)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1

Properties

Complexity:
653  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.159g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
375.4g/mol
Monoisotopic Mass:
375.159g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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