[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone

C20H24N2O2 — CID 97395128

IUPAC[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
SMILESCC[C@@H]1CO[C@@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1
InChIInChI=1S/C20H24N2O2/c1-2-15-11-20(24-13-15)8-5-9-22(14-20)19(23)17-10-16-6-3-4-7-18(16)21-12-17/h3-4,6-7,10,12,15H,2,5,8-9,11,13-14H2,1H3/t15-,20-/m0/s1
InChIKeyMAEKYJWTIMGVQV-YWZLYKJASA-N
MW324.42 g/mol
LogP3.66
Rot. Bonds2

About [(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone

[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone (PubChem CID 97395128) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone.

Molecular Properties

Compound Name[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
PubChem CID97395128
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
SMILESCC[C@@H]1CO[C@@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1
InChIInChI=1S/C20H24N2O2/c1-2-15-11-20(24-13-15)8-5-9-22(14-20)19(23)17-10-16-6-3-4-7-18(16)21-12-17/h3-4,6-7,10,12,15H,2,5,8-9,11,13-14H2,1H3/t15-,20-/m0/s1
InChIKeyMAEKYJWTIMGVQV-YWZLYKJASA-N
XLogP3.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone with MolForge

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Related Compounds

[(3S,5R)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97494033
[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone
CID 97488632
(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 134074955
[(3S,5R)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488610
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone
CID 134073962
[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone
CID 97419649
[(3R,5S)-3-ethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone;2,2,2-trifluoroacetic acid
CID 155840880
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395135
(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone
CID 131657267
[(4aS,8aS)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-quinolin-3-ylmethanone
CID 97363098
(4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395183

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone?
The IUPAC name of [(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone (CID 97395128) is [(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone.
What is the SMILES notation for [(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone?
The canonical SMILES for [(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone is CC[C@@H]1CO[C@@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1.
What is the InChIKey of [(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone?
The InChIKey is MAEKYJWTIMGVQV-YWZLYKJASA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-15-11-20(24-13-15)8-5-9-22(14-20)19(23)17-10-16-6-3-4-7-18(16)21-12-17/h3-4,6-7,10,12,15H,2,5,8-9,11,13-14H2,1H3/t15-,20-/m0/s1.
What are the key properties of [(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone?
[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone has a molecular weight of 324.42 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone is sourced from PubChem (CID 97395128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).