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Quinoline Impurity 8

CAT: 1596-AR-Q03919-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-Q03919-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
434919-82-1
Molecular Formula
C24H27N3O4S
Molecular Weight
453.56
API Name
Quinoline

Chemical Information

N-methyl-3-(4-methylpiperidine-1-carbonyl)-4-oxo-N-(m-tolyl)-1,4-dihydroquinoline-6-sulfonamide
CAS Number434919-82-1
PubChem CID4652692
IUPAC NameN-methyl-N-(3-methylphenyl)-3-(4-methylpiperidine-1-carbonyl)-4-oxo-1H-quinoline-6-sulfonamide
Molecular FormulaC24H27N3O4S
Molecular Weight453.6
XLogP3.6
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity857
SMILES
CC1CCN(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/C24H27N3O4S/c1-16-9-11-27(12-10-16)24(29)21-15-25-22-8-7-19(14-20(22)23(21)28)32(30,31)26(3)18-6-4-5-17(2)13-18/h4-8,13-16H,9-12H2,1-3H3,(H,25,28)
InChIKey
WGMMMFPZQSFDDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-3-(4-methylpiperidine-1-carbonyl)-4-oxo-N-(m-tolyl)-1,4-dihydroquinoline-6-sulfonamide
CAS: 434919-82-1
CID: 4652692
Formula: C24H27N3O4S
MW: 453.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.6
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass453.17222752
Monoisotopic Mass453.17222752
Topological Polar Surface Area95.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity857
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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