CAS Registry Number: 103772-14-1

Name:

3-​Quinolinecarboxylic acid, 5-​amino-​1-​cyclopropyl-​6,​7,​8-​trifluoro-​1,​4-​dihydro-​4-​oxo-
1-​Cyclopropyl-​5-​amino-​6,​7,​8-​trifluoro-​1,​4-​dihydro-​4-​oxoquinoline-​3-​carboxylic acid; 1-​Cyclopropyl-​5-​amino-​6,​7,​8-​trifluoro-​4-​oxo-​1,​4-​dihydroquinolin-​3-​carboxylic acid; 5-​Amino-​1-​cyclopropyl-​6,​7,​8-​trifluoro-​1,​4-​dihydro-​4-​oxoquinoline-​3-​carboxylic acid; 5-​Amino-​1-​cyclopropyl-​6,​7,​8-​trifluoro-​4-​oxo-​1,​4-​dihydroquinoline-​3-​carboxylic acid; 5-​Amino-​1-​cyclopropyl-​6,​7,​8-​trifluoro-​4-​oxoquinoline-​3-​carboxylic acid 

Chemical Formula: C13H9F3N2O3
Exact Mass: 298.06
Molecular Weight: 298.22
m/z: 298.06 (100.0%), 299.06 (14.3%), 300.06 (1.7%)

InChI: InChI=1S/C13H9F3N2O3/c14-7-8(15)10(17)6-11(9(7)16)18(4-1-2-4)3-5(12(6)19)13(20)21/h3-4H,1-2,17H2,(H,20,21)
InChIKey: CQPUZLMNORVQPG-UHFFFAOYSA-N
Canonical SMILES : C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)F)F)C(=O)O

Specification

98%

1. (1) Munigela, Nirmala; Scientia Pharmaceutica 2009, V77(1), P67-77 CAPLUS
2. (2) Miyamoto, Teruyuki; Journal of Medicinal Chemistry 1990, V33(6), P1645-56 CAPLUS
3. (3) Domagala, John M.; Journal of Medicinal Chemistry 1991, V34(3), P1142-52 CAPLUS
4. (4) Matsumoto, Junichi; EP 221463 A2 1987 CAPLUS
5. (5) Miyamoto, Koshi; JP 62201869 A 1987 CAPLUS
6. (6) Domagala, John Michael; EP 265230 A1 1988 CAPLUS