3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

C20H26N2O2 — CID 131639788

IUPAC3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCOCC1CC2(CCN(Cc3ccc4ccccc4n3)CC2)CO1
InChIInChI=1S/C20H26N2O2/c1-23-14-18-12-20(15-24-18)8-10-22(11-9-20)13-17-7-6-16-4-2-3-5-19(16)21-17/h2-7,18H,8-15H2,1H3
InChIKeyOZYIKXIFEWYWCA-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.25
Rot. Bonds4

About 3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 131639788) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID131639788
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESCOCC1CC2(CCN(Cc3ccc4ccccc4n3)CC2)CO1
InChIInChI=1S/C20H26N2O2/c1-23-14-18-12-20(15-24-18)8-10-22(11-9-20)13-17-7-6-16-4-2-3-5-19(16)21-17/h2-7,18H,8-15H2,1H3
InChIKeyOZYIKXIFEWYWCA-UHFFFAOYSA-N
XLogP3.25
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 97418031
(3S)-8-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97417981
2-[[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methyl]quinoline
CID 131671702
(3S)-8-[(6-methyl-2-pyridinyl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418316
3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131639428
(3R)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965583
(3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965584
5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 131663178
8-(pyridin-2-ylmethyl)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131646237
(3R)-3-(methoxymethyl)-8-(6-methylpyridazin-3-yl)-2-oxa-8-azaspiro[4.5]decane
CID 97483535
3-(methoxymethyl)-8-(thiophen-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155840879
(3S)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418013

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane (CID 131639788) is 3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is COCC1CC2(CCN(Cc3ccc4ccccc4n3)CC2)CO1.
What is the InChIKey of 3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is OZYIKXIFEWYWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-23-14-18-12-20(15-24-18)8-10-22(11-9-20)13-17-7-6-16-4-2-3-5-19(16)21-17/h2-7,18H,8-15H2,1H3.
What are the key properties of 3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane?
3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 326.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131639788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).