Quinoline Impurity 4

CAT: 1596-AR-Q03915-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-Q03915-02Size:25 Units

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CAS Number

434919-80-9

Molecular Formula

C25H28N4O6S

Molecular Weight

512.58

API Name

Quinoline

Chemical Information

ethyl 4-[6-[methyl-(3-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carbonyl]piperazine-1-carboxylate

CAS Number	434919-80-9
PubChem CID	6617272
IUPAC Name	ethyl 4-[6-[methyl-(3-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carbonyl]piperazine-1-carboxylate
Molecular Formula	C25H28N4O6S
Molecular Weight	512.6
XLogP	2.3
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	36
Formal Charge	0
Complexity	985

SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N(C)C4=CC=CC(=C4)C

InChI

InChI=1S/C25H28N4O6S/c1-4-35-25(32)29-12-10-28(11-13-29)24(31)21-16-26-22-9-8-19(15-20(22)23(21)30)36(33,34)27(3)18-7-5-6-17(2)14-18/h5-9,14-16H,4,10-13H2,1-3H3,(H,26,30)

InChIKey

SUEOLPHUAOSAAP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 434919-80-9

CID: 6617272

Formula: C25H28N4O6S

MW: 512.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	512.6
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	512.17295580
Monoisotopic Mass	512.17295580
Topological Polar Surface Area	125 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	985
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

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Alternative Products

Catalog	Name
OR1036845-01	(4aR,4bS,6aS,7S,9aS,9bS,11aR) -Methyl 4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylate (Dutasteride Impurity)
sc-250829	Quinoline
TRC-Q701040-5G	Quinoline Yellow
OR1014877-01	Quinoline Sulphate
C7520	Quinoline Blue
117090 500	Quinoline for Synthesis
RM-Q210901-01	Quinoline-D7
Q00610-01	Quinoline 95%

Quinoline Impurity 4

Chemical Information

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