[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone

C21H26N2O3 — CID 118745208

IUPAC[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
SMILESCCOCC1CC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)CO1
InChIInChI=1S/C21H26N2O3/c1-2-25-14-17-13-21(15-26-17)9-11-23(12-10-21)20(24)19-8-7-16-5-3-4-6-18(16)22-19/h3-8,17H,2,9-15H2,1H3
InChIKeyYEGAYWUXMARFGM-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.28
Rot. Bonds4

About [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone

[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone (PubChem CID 118745208) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
PubChem CID118745208
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
SMILESCCOCC1CC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)CO1
InChIInChI=1S/C21H26N2O3/c1-2-25-14-17-13-21(15-26-17)9-11-23(12-10-21)20(24)19-8-7-16-5-3-4-6-18(16)22-19/h3-8,17H,2,9-15H2,1H3
InChIKeyYEGAYWUXMARFGM-UHFFFAOYSA-N
XLogP3.28
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone?
The IUPAC name of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone (CID 118745208) is [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone is CCOCC1CC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)CO1.
What is the InChIKey of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone?
The InChIKey is YEGAYWUXMARFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-2-25-14-17-13-21(15-26-17)9-11-23(12-10-21)20(24)19-8-7-16-5-3-4-6-18(16)22-19/h3-8,17H,2,9-15H2,1H3.
What are the key properties of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone?
[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone has a molecular weight of 354.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 118745208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).