7-(3-Chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxyquinoline-3-carbonitrile - CAS 380844-49-5
Catalog: |
BB023531 |
Product Name: |
7-(3-Chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxyquinoline-3-carbonitrile |
CAS: |
380844-49-5 |
Synonyms: |
7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-3-quinolinecarbonitrile; 7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinoline-3-carbonitrile |
IUPAC Name: | 7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinoline-3-carbonitrile |
Description: | 7-(3-Chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxyquinoline-3-carbonitrile (CAS# 380844-49-5) is a useful intermediate in the green preparation of the anti-tumor agent Bosutinib (B676095). It is a COVID19-related research product. |
Molecular Weight: | 466.74 |
Molecular Formula: | C21H18Cl3N3O3 |
Canonical SMILES: | COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3Cl)Cl)OC)OCCCCl |
InChI: | InChI=1S/C21H18Cl3N3O3/c1-28-18-9-17(14(23)7-15(18)24)27-21-12(10-25)11-26-16-8-20(30-5-3-4-22)19(29-2)6-13(16)21/h6-9,11H,3-5H2,1-2H3,(H,26,27) |
InChI Key: | GASHKCRNJZBFBE-UHFFFAOYSA-N |
MDL: | MFCD09833975 |
LogP: | 5.60368 |
Publication Number | Title | Priority Date |
CN-112608278-A | Bosutinib 1, 4-piperazine dimer impurity and preparation method thereof | 20201216 |
CN-113292536-A | Compound capable of degrading Bcr-Abl or PARP and preparation method and pharmaceutical application thereof | 20200221 |
WO-2020184670-A1 | Method for introducing deuterated lower alkyl into amine moiety of compound containing secondary amine | 20190313 |
CN-113518771-A | Method for introducing deuterated lower alkyl into amine part of compound containing secondary amine | 20190313 |
WO-2019196812-A1 | Protein degradation targeting compound, anti-tumor application, intermediate thereof and use of intermediate | 20180409 |
Complexity: | 592 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 465.041375 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 465.041375 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 76.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.1 |
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