[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone

C21H26N2O3 — CID 124788983

IUPAC[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone
SMILESCOCC[C@@H]1CCOC12CCN(C(=O)c1ccnc3ccccc13)CC2
InChIInChI=1S/C21H26N2O3/c1-25-14-7-16-8-15-26-21(16)9-12-23(13-10-21)20(24)18-6-11-22-19-5-3-2-4-17(18)19/h2-6,11,16H,7-10,12-15H2,1H3/t16-/m1/s1
InChIKeyBJRLQCVXYLKFHB-MRXNPFEDSA-N
MW354.45 g/mol
LogP3.28
Rot. Bonds4

About [(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone

[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone (PubChem CID 124788983) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone.

Molecular Properties

Compound Name[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone
PubChem CID124788983
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone
SMILESCOCC[C@@H]1CCOC12CCN(C(=O)c1ccnc3ccccc13)CC2
InChIInChI=1S/C21H26N2O3/c1-25-14-7-16-8-15-26-21(16)9-12-23(13-10-21)20(24)18-6-11-22-19-5-3-2-4-17(18)19/h2-6,11,16H,7-10,12-15H2,1H3/t16-/m1/s1
InChIKeyBJRLQCVXYLKFHB-MRXNPFEDSA-N
XLogP3.28
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone with MolForge

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Related Compounds

[8-[2-(cyclopropylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-quinolin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827653
(2-methylfuran-3-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131651853
1-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131677641
1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-methylphenyl)propan-1-one
CID 124822465
(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone
CID 110159736
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 133142534
[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
CID 124796583
[4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 131643624
(3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131650244
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124810784
[4-(2-pyridin-3-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
CID 133140773
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone?
The IUPAC name of [(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone (CID 124788983) is [(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone.
What is the SMILES notation for [(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone?
The canonical SMILES for [(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone is COCC[C@@H]1CCOC12CCN(C(=O)c1ccnc3ccccc13)CC2.
What is the InChIKey of [(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone?
The InChIKey is BJRLQCVXYLKFHB-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-14-7-16-8-15-26-21(16)9-12-23(13-10-21)20(24)18-6-11-22-19-5-3-2-4-17(18)19/h2-6,11,16H,7-10,12-15H2,1H3/t16-/m1/s1.
What are the key properties of [(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone?
[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone has a molecular weight of 354.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone is sourced from PubChem (CID 124788983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).