3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

C19H24N2O2 — CID 118746238

IUPAC3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(Cc3ccc4ccccc4n3)CC2)C1
InChIInChI=1S/C19H24N2O2/c1-22-17-12-19(23-14-17)8-10-21(11-9-19)13-16-7-6-15-4-2-3-5-18(15)20-16/h2-7,17H,8-14H2,1H3
InChIKeyWCSFQGXSWXZUJB-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.00
Rot. Bonds3

About 3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118746238) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID118746238
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(Cc3ccc4ccccc4n3)CC2)C1
InChIInChI=1S/C19H24N2O2/c1-22-17-12-19(23-14-17)8-10-21(11-9-19)13-16-7-6-15-4-2-3-5-18(15)20-16/h2-7,17H,8-14H2,1H3
InChIKeyWCSFQGXSWXZUJB-UHFFFAOYSA-N
XLogP3.00
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 118746238) is 3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is COC1COC2(CCN(Cc3ccc4ccccc4n3)CC2)C1.
What is the InChIKey of 3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is WCSFQGXSWXZUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-22-17-12-19(23-14-17)8-10-21(11-9-19)13-16-7-6-15-4-2-3-5-18(15)20-16/h2-7,17H,8-14H2,1H3.
What are the key properties of 3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 312.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118746238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).