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Bulaquine

CAT: 0013-GTR19195272-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195272-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Bulaquine
CAS Number
79781-00-3
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
N (C (CCCNC (C) =C1C (=O) OCC1) C) C=2C3=C (C=C (OC) C2) C=CC=N3
Molecular Formula
C21H27N3O3
Molecular Weight
369.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bulaquine

Bulaquine is an aminoquinoline.

CAS Number79781-00-3
PubChem CID9831444
IUPAC Name(3Z)-3-[1-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]ethylidene]oxolan-2-one
Molecular FormulaC21H27N3O3
Molecular Weight369.5
XLogP4.4
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity537
SMILES
CC(CCCN/C(=C\1/CCOC1=O)/C)NC2=C3C(=CC(=C2)OC)C=CC=N3
InChI
InChI=1S/C21H27N3O3/c1-14(6-4-9-22-15(2)18-8-11-27-21(18)25)24-19-13-17(26-3)12-16-7-5-10-23-20(16)19/h5,7,10,12-14,22,24H,4,6,8-9,11H2,1-3H3/b18-15-
InChIKey
ADCOUXIGWFEYJP-SDXDJHTJSA-N
Chemical Structure
2D Structure
2D structure of Bulaquine
CAS: 79781-00-3
CID: 9831444
Formula: C21H27N3O3
MW: 369.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass369.20524173
Monoisotopic Mass369.20524173
Topological Polar Surface Area72.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T30612-01Bulaquine
443570-01Bulaquine discontinued

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