UC-112

CAT: 0127-BUP09316-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09316-05Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

383392-66-3

Purity

=98%

Smiles

Oc1c(CN2CCCC2)cc(COCc2ccccc2)c2cccnc12

Chemical Information

5-((Benzyloxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

5-(phenylmethoxymethyl)-7-(1-pyrrolidinylmethyl)-8-quinolinol is a hydroxyquinoline.

CAS Number	383392-66-3
PubChem CID	3426979
IUPAC Name	5-(phenylmethoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
Molecular Formula	C22H24N2O2
Molecular Weight	348.4
XLogP	3.3
Topological Polar Surface Area	45.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	420

SMILES

C1CCN(C1)CC2=CC(=C3C=CC=NC3=C2O)COCC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O2/c25-22-18(14-24-11-4-5-12-24)13-19(20-9-6-10-23-21(20)22)16-26-15-17-7-2-1-3-8-17/h1-3,6-10,13,25H,4-5,11-12,14-16H2

InChIKey

LTGLGIQQZXSLLF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 383392-66-3

CID: 3426979

Formula: C22H24N2O2

MW: 348.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	348.4
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	348.183778013
Monoisotopic Mass	348.183778013
Topological Polar Surface Area	45.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	420
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