200,000+ products from a single source!
sales@angenechem.com
178174-19-1 | 3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-1,4-dihydro-4-oxo-, (S)- (9CI)
CAS No: 178174-19-1 Catalog No: AG0025T3 MDL No:
Product Description
Catalog Number:
AG0025T3
Chemical Name:
3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-1,4-dihydro-4-oxo-, (S)- (9CI)
CAS Number:
178174-19-1
Molecular Formula:
C18H18F3N3O4
Molecular Weight:
397.3484
IUPAC Name:
7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C19H20F3N3O4/c1-8-12-14(25(10-2-3-10)7-11(16(12)26)18(27)28)17(29-19(21)22)15(13(8)20)24-5-4-9(23)6-24/h7,9-10,19H,2-6,23H2,1H3,(H,27,28)
InChI Key:
DBWPOKMDNHVJMJ-UHFFFAOYSA-N
SMILES:
N[C@H]1CCN(C1)c1c(F)cc2c(c1OC(F)F)n(cc(c2=O)C(=O)O)C1CC1
Properties
Complexity:
717
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.141g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
411.381g/mol
Monoisotopic Mass:
411.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.