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QA 241

CAT: 0931-T34214-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T34214-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108405-58-9
Target
Others
Related Pathways
Others
Bioactivity
QA 241 is a tricyclic quinolone.
Smiles
Cl.O=C(O)C1=CN2C=3C(=CC(F)=C(C3C(=O)CC2C)N4CCN(C)CC4)C1=O
Molecular Formula
C19H21ClFN3O4
Molecular Weight
409.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

QA 241

structure given in first source

CAS Number108405-58-9
PubChem CID130127
IUPAC Name7-fluoro-12-methyl-8-(4-methylpiperazin-1-yl)-4,10-dioxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid;hydrochloride
Molecular FormulaC19H21ClFN3O4
Molecular Weight409.8
Topological Polar Surface Area81.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity703
SMILES
CC1CC(=O)C2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.Cl
InChI
InChI=1S/C19H20FN3O4.ClH/c1-10-7-14(24)15-16-11(18(25)12(19(26)27)9-23(10)16)8-13(20)17(15)22-5-3-21(2)4-6-22;/h8-10H,3-7H2,1-2H3,(H,26,27);1H
InChIKey
CDKHTKSBKPVKSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of QA 241
CAS: 108405-58-9
CID: 130127
Formula: C19H21ClFN3O4
MW: 409.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass409.1204620
Monoisotopic Mass409.1204620
Topological Polar Surface Area81.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity703
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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