CAS Registry Number: 121659-86-7

Name:

3-​Quinolinecarboxylic acid, 2-​cyclopropyl-​4-​(4-​fluorophenyl)​-​, methyl ester
2-​Cyclopropyl-​4-​(4-​fluorophenyl)​quinoline-​3-​carboxylic acid methyl ester; 4-​(4-​Fluorophenyl)​-​2-​cyclopropylquinoline​-​3-​carboxylic acid methyl ester; Methyl 2-​cyclopropyl-​4-​(4-​fluorophenyl)​-​3-​quinolinecarboxylate 

Chemical Formula: C20H16FNO2
Exact Mass: 321.12
Molecular Weight: 321.34
m/z: 321.12 (100.0%), 322.12 (21.9%), 323.12 (2.7%)
Elemental Analysis: C, 74.75; H, 5.02; F, 5.91; N, 4.36; O, 9.96

InChI: InChI=1S/C20H16FNO2/c1-24-20(23)18-17(12-8-10-14(21)11-9-12)15-4-2-3-5-16(15)22-19(18)13-6-7-13/h2-5,8-11,13H,6-7H2,1H3
InChIKey: RNXQZVFWKIPEOJ-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F

Specification

98%

PCT Int. Appl. (2002), WO 2002085363 A1 20021031.                                 

PCT Int. Appl. (2002), WO 2002070488 A1 20020912.