5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane

C22H30N2O2 — CID 131663178

IUPAC5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCCOCC1COCCC12CCN(Cc1ccc3ccccc3n1)CC2
InChIInChI=1S/C22H30N2O2/c1-2-25-16-19-17-26-14-11-22(19)9-12-24(13-10-22)15-20-8-7-18-5-3-4-6-21(18)23-20/h3-8,19H,2,9-17H2,1H3
InChIKeyNWTIYTZODCQJOL-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.89
Rot. Bonds5

About 5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane

5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 131663178) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID131663178
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCCOCC1COCCC12CCN(Cc1ccc3ccccc3n1)CC2
InChIInChI=1S/C22H30N2O2/c1-2-25-16-19-17-26-14-11-22(19)9-12-24(13-10-22)15-20-8-7-18-5-3-4-6-21(18)23-20/h3-8,19H,2,9-17H2,1H3
InChIKeyNWTIYTZODCQJOL-UHFFFAOYSA-N
XLogP3.89
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-(ethoxymethyl)-9-[(5-methylthiophen-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 97418617
[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 97418532
(8R)-8-(ethoxymethyl)-2-(quinolin-2-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124869855
(5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 97475433
1-[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
CID 97418632
5-(methoxymethyl)-9-[(6-methyl-2-pyridinyl)methyl]-3-oxa-9-azaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155847593
3-(methoxymethyl)-8-(quinolin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131639788
(5S)-5-(cyclopropylmethoxymethyl)-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 97477164
3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131639428
[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 97474457
(3R)-3-propyl-4-(quinolin-2-ylmethyl)morpholine
CID 95129378
2-[[4-(1-bromoethyl)piperidin-1-yl]methyl]quinoline
CID 106838403

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane (CID 131663178) is 5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane is CCOCC1COCCC12CCN(Cc1ccc3ccccc3n1)CC2.
What is the InChIKey of 5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is NWTIYTZODCQJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-2-25-16-19-17-26-14-11-22(19)9-12-24(13-10-22)15-20-8-7-18-5-3-4-6-21(18)23-20/h3-8,19H,2,9-17H2,1H3.
What are the key properties of 5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane?
5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 354.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-9-(quinolin-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 131663178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).