[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone

C20H24N2O3 — CID 97418796

IUPAC[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
SMILESCCO[C@@H]1COC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)C1
InChIInChI=1S/C20H24N2O3/c1-2-24-16-13-20(25-14-16)9-11-22(12-10-20)19(23)18-8-7-15-5-3-4-6-17(15)21-18/h3-8,16H,2,9-14H2,1H3/t16-/m0/s1
InChIKeyXXZVDZAUJQWEOH-INIZCTEOSA-N
MW340.42 g/mol
LogP3.04
Rot. Bonds3

About [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone

[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone (PubChem CID 97418796) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
PubChem CID97418796
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
SMILESCCO[C@@H]1COC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)C1
InChIInChI=1S/C20H24N2O3/c1-2-24-16-13-20(25-14-16)9-11-22(12-10-20)19(23)18-8-7-15-5-3-4-6-17(15)21-18/h3-8,16H,2,9-14H2,1H3/t16-/m0/s1
InChIKeyXXZVDZAUJQWEOH-INIZCTEOSA-N
XLogP3.04
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,5S)-3-ethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone
CID 97475014
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone
CID 97477423
[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 91918142
(3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyridin-4-ylmethanone
CID 131657708
[(3R)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97418817
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97450701
[(7S)-7-ethoxy-5-thia-2-azaspiro[3.4]octan-2-yl]-quinolin-2-ylmethanone
CID 124869990
2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97474158
[3-[(6-methylpyridazin-3-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
CID 134074024
(4,5-dimethylthiophen-2-yl)-[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418808
[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 97418532
[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone
CID 131660368

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone?
The IUPAC name of [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone (CID 97418796) is [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone is CCO[C@@H]1COC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)C1.
What is the InChIKey of [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone?
The InChIKey is XXZVDZAUJQWEOH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-24-16-13-20(25-14-16)9-11-22(12-10-20)19(23)18-8-7-15-5-3-4-6-17(15)21-18/h3-8,16H,2,9-14H2,1H3/t16-/m0/s1.
What are the key properties of [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone?
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone has a molecular weight of 340.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 97418796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).