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178233-18-6 | 3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-5-methyl-4-oxo-, (S)- (9CI)
CAS No: 178233-18-6 Catalog No: AG0025UF MDL No:
Product Description
Catalog Number:
AG0025UF
Chemical Name:
3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-5-methyl-4-oxo-, (S)- (9CI)
CAS Number:
178233-18-6
Molecular Formula:
C18H19F2N3O3
Molecular Weight:
363.3586
IUPAC Name:
7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C18H19F2N3O3/c1-8-12-15(14(20)16(13(8)19)22-5-4-9(21)6-22)23(10-2-3-10)7-11(17(12)24)18(25)26/h7,9-10H,2-6,21H2,1H3,(H,25,26)
InChI Key:
FXHKZPNHDSOFGV-UHFFFAOYSA-N
SMILES:
N[C@H]1CCN(C1)c1c(F)c(C)c2c(c1F)n(cc(c2=O)C(=O)O)C1CC1
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.139g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.365g/mol
Monoisotopic Mass:
363.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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