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Niraparib Impurity 25

CAT: 1299-RM-N090125-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N090125-02Size:100 mg
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CAS Number
2416093-67-7
Synonyms
Tert-butyl 4- (2-oxo-1,2-dihydroquinolin-3-yl) piperidine-1-carboxylate
Molecular Formula
C19H24N2O3
Molecular Weight
328.41
Target Alternative Name
Niraparib

Chemical Information

tert-Butyl 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
CAS Number2416093-67-7
PubChem CID153562932
IUPAC Nametert-butyl 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
Molecular FormulaC19H24N2O3
Molecular Weight328.4
XLogP2.8
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity527
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC3=CC=CC=C3NC2=O
InChI
InChI=1S/C19H24N2O3/c1-19(2,3)24-18(23)21-10-8-13(9-11-21)15-12-14-6-4-5-7-16(14)20-17(15)22/h4-7,12-13H,8-11H2,1-3H3,(H,20,22)
InChIKey
DXPDWIPEOWMKKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
CAS: 2416093-67-7
CID: 153562932
Formula: C19H24N2O3
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass328.17869263
Monoisotopic Mass328.17869263
Topological Polar Surface Area58.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity527
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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