4-Chloro-3-cyano-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline - CAS 492444-39-0
Catalog: |
BB055581 |
Product Name: |
4-Chloro-3-cyano-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline |
CAS: |
492444-39-0 |
Synonyms: |
4-Chloro-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile; Bosutinib impurity |
IUPAC Name: | 4-chloro-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile |
Description: | 4-Chloro-3-cyano-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline is a useful reagent to prepare benzofuranyl derivatives for treating solid tumours. It is also an impurity of Bosutinib. |
Molecular Weight: | 374.86 |
Molecular Formula: | C19H23ClN4O2 |
Canonical SMILES: | CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3Cl)C#N)OC |
InChI: | InChI=1S/C19H23ClN4O2/c1-23-5-7-24(8-6-23)4-3-9-26-18-11-16-15(10-17(18)25-2)19(20)14(12-21)13-22-16/h10-11,13H,3-9H2,1-2H3 |
InChI Key: | DLILOBLDMMRASC-UHFFFAOYSA-N |
Melting Point: | 173 - 175°C |
Solubility: | Acetonitrile (Slightly), Chloroform (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | Hygroscopic, -20°C Freezer, Under inert atmosphere |
References: | Hennequin, L. F. A. PCT Int. Appl. (2003), WO 2003047585 A1 20030612 (2003); Hennequin, L. F. A., Gibson, K. H., Foote, K. M. PCT Int. Appl. WO 2003047582 A1 20030612 (2003). |
Complexity: | 491 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 374.1509537 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 374.1509537 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 61.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
-
Catalog: BB071775
((1R,4R)-4-(((tert-butyldimethylsilyl)oxy)methyl)cyclohexyl)methanol
Detail
-
Catalog: BB064244
((2S,3R)-4-(4-(((((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl)oxy)carbonyl)amino)-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamic Acid Phenylmethyl Ester
Detail
-
Catalog: BB072640
((2R,3S,4R,5R)-5-(4-(Benzyloxy)-2-oxopyridin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl bis(2-cyanoethyl) Phosphate
Detail
-
Catalog: BB069924
((2S,4S)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB069173
((1-Chloro-2-methylpropan-2-yl)oxy)trimethylsilane
Detail
-
Catalog: BB056966
(((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methyl)-L-arginine
Detail
-
Catalog: BB075348
((2S,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate, sodium salt
Detail
-
Catalog: BB061033
((2R,5S,10aS,10bS)-10b-Hydroxy-5-isopropyl-2-methyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)carbamic Acid Benzyl Ester
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS