SAR407899 HCl 5mg

CAT: 0628-A15921-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A15921-5Size:5 mg

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CAS Number

923262-96-8

Chemical Information

6-(Piperidin-4-yloxy)-2H-isoquinolin-1-one hydrochloride

CAS Number	923262-96-8
PubChem CID	42635918
IUPAC Name	6-piperidin-4-yloxy-2H-isoquinolin-1-one;hydrochloride
Molecular Formula	C14H17ClN2O2
Molecular Weight	280.75
Topological Polar Surface Area	50.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	337

SMILES

C1CNCCC1OC2=CC3=C(C=C2)C(=O)NC=C3.Cl

InChI

InChI=1S/C14H16N2O2.ClH/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11;/h1-3,8-9,11,15H,4-7H2,(H,16,17);1H

InChIKey

KMNVOGVCCZNVNU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 923262-96-8

CID: 42635918

Formula: C14H17ClN2O2

MW: 280.75

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	280.75
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	280.0978555
Monoisotopic Mass	280.0978555
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	337
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	2
Compound Is Canonicalized	Yes