3-Hydroxy-2-octylquinolin-4 (1H) -one

CAT: 0127-OR1006538-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1006538-01Size:10 mg

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CAS Number

1259944-01-8

Purity

95%

Smiles

O=C1C(O)=C(CCCCCCCC)NC2=C1C=CC=C2

Chemical Information

3-Hydroxy-2-octylquinolin-4(1H)-one

CAS Number	1259944-01-8
PubChem CID	50915414
IUPAC Name	3-hydroxy-2-octyl-1H-quinolin-4-one
Molecular Formula	C17H23NO2
Molecular Weight	273.37
XLogP	5.3
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	362

SMILES

CCCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)O

InChI

InChI=1S/C17H23NO2/c1-2-3-4-5-6-7-12-15-17(20)16(19)13-10-8-9-11-14(13)18-15/h8-11,20H,2-7,12H2,1H3,(H,18,19)

InChIKey

ALGAHAZZESMXCK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1259944-01-8

CID: 50915414

Formula: C17H23NO2

MW: 273.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.37
XLogP3	5.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	273.172878976
Monoisotopic Mass	273.172878976
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	362
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
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Catalog	Name
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AR-A02536-01	8-hydroxy-3,4-dihydroquinolin-2 (1H) -one
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AR-A02554-01	5-hydroxy-3,4-dihydroquinolin-2 (1H) -one
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013677-01	6-Hydroxy-3,4-dihydro-1H-quinoline-2-one
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