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

C18H22N2O — CID 124971681

IUPAC(3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc2ncc(C[C@H]3COC4(CCNCC4)C3)cc2c1
InChIInChI=1S/C18H22N2O/c1-2-4-17-16(3-1)10-14(12-20-17)9-15-11-18(21-13-15)5-7-19-8-6-18/h1-4,10,12,15,19H,5-9,11,13H2/t15-/m1/s1
InChIKeyJYEKXVBBAUQBDT-OAHLLOKOSA-N
MW282.39 g/mol
LogP2.94
Rot. Bonds2

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

(3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 124971681) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID124971681
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc2ncc(C[C@H]3COC4(CCNCC4)C3)cc2c1
InChIInChI=1S/C18H22N2O/c1-2-4-17-16(3-1)10-14(12-20-17)9-15-11-18(21-13-15)5-7-19-8-6-18/h1-4,10,12,15,19H,5-9,11,13H2/t15-/m1/s1
InChIKeyJYEKXVBBAUQBDT-OAHLLOKOSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124978658
3-(piperidin-4-ylmethyl)quinoline;dihydrochloride
CID 53407804
(3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124640971
6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 171687499
(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 124977237
3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 110131042
3-[[6-(5,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 155986724
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
(1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124981222
4-(quinolin-3-ylmethyl)thiolan-3-ol
CID 114203558
[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97395128
N-(piperidin-4-ylmethyl)quinolin-3-amine
CID 79707909

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 124971681) is (3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is c1ccc2ncc(C[C@H]3COC4(CCNCC4)C3)cc2c1.
What is the InChIKey of (3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is JYEKXVBBAUQBDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-4-17-16(3-1)10-14(12-20-17)9-15-11-18(21-13-15)5-7-19-8-6-18/h1-4,10,12,15,19H,5-9,11,13H2/t15-/m1/s1.
What are the key properties of (3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
(3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 282.39 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 124971681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).