3-Quinolinecarboxylicacid,7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo- (127254-12-0)

The 3-Quinolinecarboxylicacid,7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-, with the cas register number 127254-12-0, has the IUPAC name of 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid.

The characteristics of this chemical are as below: (1)XLogP3-AA: 0.7; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 8; (4)Rotatable Bond Count: 3; (5)Exact Mass: 409.100476; (6)MonoIsotopic Mass: 409.100476; (7)Topological Polar Surface Area: 86.9; (8)Heavy Atom Count: 28; (9)Complexity: 761; (10)Defined Atom StereoCenter Count: 2; (11)Undefined Atom StereoCenter Count: 1; (12)Undefined Bond StereoCenter Count: 0; (13)Covalently-Bonded Unit Count: 1.

The following datas could be converted into the molecular structure:
(1)Canonical SMILES: C1CC12CN(CC2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5F)F
(2)Isomeric SMILES: C1CC12CN(C[C@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5C[C@@H]5F)F
(3)InChI: InChI=1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)
   21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,
   23H2,(H,27,28)/t10-,12?,13+/m0/s1 
(4)InChIKey: PNUZDKCDAWUEGK-RDWQBYKPSA-N