3-Benzyl-6-bromo-2-methoxyquinoline - CAS 654655-69-3
Catalog: |
BB032739 |
Product Name: |
3-Benzyl-6-bromo-2-methoxyquinoline |
CAS: |
654655-69-3 |
Synonyms: |
6-bromo-2-methoxy-3-(phenylmethyl)quinoline; 3-benzyl-6-bromo-2-methoxyquinoline |
IUPAC Name: | 3-benzyl-6-bromo-2-methoxyquinoline |
Description: | 3-Benzyl-6-bromo-2-methoxyquinoline (CAS# 654655-69-3) is a reactant used in the preparation of Bedaquiline (B119550), a potential drug in the treatment of tuberculosis. |
Molecular Weight: | 328.20 |
Molecular Formula: | C17H14BrNO |
Canonical SMILES: | COC1=C(C=C2C=C(C=CC2=N1)Br)CC3=CC=CC=C3 |
InChI: | InChI=1S/C17H14BrNO/c1-20-17-14(9-12-5-3-2-4-6-12)10-13-11-15(18)7-8-16(13)19-17/h2-8,10-11H,9H2,1H3 |
InChI Key: | WMFHVNYOCKTDMX-UHFFFAOYSA-N |
Appearance: | White crystalline powder |
LogP: | 4.59670 |
Publication Number | Title | Priority Date |
CN-111574444-A | Preparation method of bedaquiline | 20200707 |
KR-102303635-B1 | PROCESS FOR PREPARING (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-dimethylamino-2-(1-naphthyl)-1-phenyl-butan-2-ol AND PHARMACEUTICALLY ACCEPTABLE SALT | 20200701 |
CN-110804016-A | Diaryl quinoline derivatives against mycobacterium tuberculosis | 20191205 |
WO-2020161743-A1 | Process for the preparation of bedaquiline fumarate | 20190208 |
WO-2019029613-A1 | DETERERATED QUINOLINE COMPOUND, CORRESPONDING PREPARATION METHOD AND USE THEREOF | 20170811 |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 327.02588 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 327.02588 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 22.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Quinoline/Isoquinoline
-
[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
-
[30740-95-5]
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
-
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
-
[13676-02-3]
2-Chloro-6-methoxyquinoline
-
[1031928-21-8]
2-Chloro-7,8-dimethyl-3-phenylquinoline
-
[77156-78-6]
4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS