Quinabactin

CAT: 0926-WMB27026-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-WMB27026-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

946270-26-4

Smiles

CC1=NC (=CC=C1) C2=NCCCC2

Molecular Formula

C20H24N2O3S

Molecular Weight

372.5 g/mol

Controlled

Chemical Information

Quinabactin

CAS Number	946270-26-4
PubChem CID	16927350
IUPAC Name	1-(4-methylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
Molecular Formula	C20H24N2O3S
Molecular Weight	372.5
XLogP	3
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	578

SMILES

CCCN1C(=O)CCC2=C1C=CC(=C2)NS(=O)(=O)CC3=CC=C(C=C3)C

InChI

InChI=1S/C20H24N2O3S/c1-3-12-22-19-10-9-18(13-17(19)8-11-20(22)23)21-26(24,25)14-16-6-4-15(2)5-7-16/h4-7,9-10,13,21H,3,8,11-12,14H2,1-2H3

InChIKey

IVHKSUMLZQXFPR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 946270-26-4

CID: 16927350

Formula: C20H24N2O3S

MW: 372.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	372.5
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	372.15076381
Monoisotopic Mass	372.15076381
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	578
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19199739-01	Quinabactin