Quinoline,4-chloro-8-methoxy- (16778-21-5)

The 4-Chloro-8-methoxyquinoline, with the CAS registry number 16778-21-5, is also known as Quinoline, 4-chloro-8-methoxy-. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₁₀H₈ClNO and formula weight is 193.63. What's more, its IUPAC name and systematic name are the same which is called 4-chloro-8-methoxyquinoline. This chemical not only can be used as potent selective CRTh2(DP2) antagonist but also can be used as potential treatments for asthma, allergic rhinitis and other inflammatory diseases.

Physical properties of 4-Chloro-8-methoxyquinoline: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 49.72; (6)ACD/BCF (pH 7.4): 49.73; (7)ACD/KOC (pH 5.5): 570.13; (8)ACD/KOC (pH 7.4): 570.26; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 53.76 cm³; (14)Molar Volume: 152.7 cm³; (15)Surface Tension: 46 dyne/cm; (16)Density: 1.267 g/cm³; (17)Flash Point: 135.2 °C; (18)Enthalpy of Vaporization: 51.83 kJ/mol; (19)Boiling Point: 299.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00207 mmHg at 25°C.

Preparation: this chemical can be prepared by 8-methoxy-quinolin-4-ol. This reaction will need reagent POCl₃. The reaction time is 3 hours. The yield is about 95%.

Uses of 4-Chloro-8-methoxyquinoline: it can be used to produce 4-chloro-quinolin-8-ol. This reaction will need reagent water and sulfuric acid.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=CC2=C(C=CN=C21)Cl
(2)InChI: InChI=1S/C10H8ClNO/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-6H,1H3
(3)InChIKey: LCYDNBWXXPOMQL-UHFFFAOYSA-N