7- (Benzyloxy) -4-hydroxyquinoline

CAT: 0024-sc-357968ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-357968ASize:5 g

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CAS Number

17825-15-9

Chemical Information

Ethyl 7-(benzyloxy)-4-hydroxyquinoline-3-carboxylate

CAS Number	17825-15-9
PubChem CID	18526306
IUPAC Name	ethyl 4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylate
Molecular Formula	C19H17NO4
Molecular Weight	323.3
XLogP	3.5
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	496

SMILES

CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C19H17NO4/c1-2-23-19(22)16-11-20-17-10-14(8-9-15(17)18(16)21)24-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,20,21)

InChIKey

AJFAAXMCFXOPOM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17825-15-9

CID: 18526306

Formula: C19H17NO4

MW: 323.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	323.3
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	323.11575802
Monoisotopic Mass	323.11575802
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	496
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
sc-227116	7-Chloro-4-hydroxyquinoline
sc-311267A	7-Hydroxyquinoline
sc-311267	7-Hydroxyquinoline
sc-319146A	5,7-Bis (trifluoromethyl) -4-hydroxyquinoline
sc-289010A	3-Bromo-7-fluoro-4-hydroxyquinoline
sc-319146	5,7-Bis (trifluoromethyl) -4-hydroxyquinoline
sc-289010	3-Bromo-7-fluoro-4-hydroxyquinoline
sc-206830	4-Benzyloxy-[7-13C]benzaldehyde
sc-300659	Ethyl 7-bromo-4-hydroxyquinoline-3-carboxylate
sc-291516	7-bromo-3-hydroxyquinoline-4-carboxylic acid

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