[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone

C22H28N2O4 — CID 91918142

IUPAC[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
SMILESCOCCOC1CCOC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)C1
InChIInChI=1S/C22H28N2O4/c1-26-14-15-27-18-8-13-28-22(16-18)9-11-24(12-10-22)21(25)20-7-6-17-4-2-3-5-19(17)23-20/h2-7,18H,8-16H2,1H3
InChIKeyWRSTUVLHHPHQSR-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.05
Rot. Bonds5

About [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone

[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone (PubChem CID 91918142) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
PubChem CID91918142
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
SMILESCOCCOC1CCOC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)C1
InChIInChI=1S/C22H28N2O4/c1-26-14-15-27-18-8-13-28-22(16-18)9-11-24(12-10-22)21(25)20-7-6-17-4-2-3-5-19(17)23-20/h2-7,18H,8-16H2,1H3
InChIKeyWRSTUVLHHPHQSR-UHFFFAOYSA-N
XLogP3.05
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone (CID 91918142) is [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone is COCCOC1CCOC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)C1.
What is the InChIKey of [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone?
The InChIKey is WRSTUVLHHPHQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-26-14-15-27-18-8-13-28-22(16-18)9-11-24(12-10-22)21(25)20-7-6-17-4-2-3-5-19(17)23-20/h2-7,18H,8-16H2,1H3.
What are the key properties of [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone?
[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone has a molecular weight of 384.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 91918142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).