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

C22H28N2O2 — CID 131639428

IUPAC3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc2nc(CN3CCC4(CC3)CC(OCC3CC3)CO4)ccc2c1
InChIInChI=1S/C22H28N2O2/c1-2-4-21-18(3-1)7-8-19(23-21)14-24-11-9-22(10-12-24)13-20(16-26-22)25-15-17-5-6-17/h1-4,7-8,17,20H,5-6,9-16H2
InChIKeyDESUUDVVJMVKCB-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.78
Rot. Bonds5

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

3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 131639428) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID131639428
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc2nc(CN3CCC4(CC3)CC(OCC3CC3)CO4)ccc2c1
InChIInChI=1S/C22H28N2O2/c1-2-4-21-18(3-1)7-8-19(23-21)14-24-11-9-22(10-12-24)13-20(16-26-22)25-15-17-5-6-17/h1-4,7-8,17,20H,5-6,9-16H2
InChIKeyDESUUDVVJMVKCB-UHFFFAOYSA-N
XLogP3.78
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylmethoxy)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 134076676
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone
CID 97477423
(3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97477123
(3R)-8-[(2-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97418922
3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 131645179
(3S)-3-(cyclopropylmethoxy)-8-[(3-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97418851
(8S)-8-ethoxy-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124828466
(3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97477567
(3S)-3-(cyclobutylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419173
(7R)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124827810
(7S)-7-(morpholin-4-ylmethyl)-2-(quinolin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124827811
(3R)-3-ethoxy-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97450678

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 131639428) is 3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is c1ccc2nc(CN3CCC4(CC3)CC(OCC3CC3)CO4)ccc2c1.
What is the InChIKey of 3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is DESUUDVVJMVKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-4-21-18(3-1)7-8-19(23-21)14-24-11-9-22(10-12-24)13-20(16-26-22)25-15-17-5-6-17/h1-4,7-8,17,20H,5-6,9-16H2.
What are the key properties of 3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 352.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131639428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).