PT-262

CAT: 0127-OR1073957-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1073957-01Size:10 mg

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CAS Number

86811-36-1

Purity

98%

Smiles

O=C(C(N1CCCCC1)=C2Cl)C3=C(N=CC=C3)C2=O

Chemical Information

7-Chloro-6-piperidin-1-ylquinoline-5,8-dione

has antineoplastic activity; structure in first source

CAS Number	86811-36-1
PubChem CID	12424014
IUPAC Name	7-chloro-6-piperidin-1-ylquinoline-5,8-dione
Molecular Formula	C14H13ClN2O2
Molecular Weight	276.72
XLogP	2.7
Topological Polar Surface Area	50.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	441

SMILES

C1CCN(CC1)C2=C(C(=O)C3=C(C2=O)C=CC=N3)Cl

InChI

InChI=1S/C14H13ClN2O2/c15-10-12(17-7-2-1-3-8-17)13(18)9-5-4-6-16-11(9)14(10)19/h4-6H,1-3,7-8H2

InChIKey

XBHXHCMFAUSIKK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 86811-36-1

CID: 12424014

Formula: C14H13ClN2O2

MW: 276.72

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.72
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	276.0665554
Monoisotopic Mass	276.0665554
Topological Polar Surface Area	50.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	441
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
BUP12544-01	PT-2385
BUP12537-01	PT-179
IN11775-01	PT-ttpy
BUP06794-01	PT-1
IN2876-01	Platinum (IV) chloride, 58% Pt
IN12402	Calcium carbonate,99.8%, PT-13c
IN12433-01	Pt (II) meso-Tetra (pentafluorophenyl) porphine
IN13024-01	PT (II) meso-Tetra (4-carboxyphenyl) porphine