9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C20H24N2O3 — CID 72916661

IUPAC9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCc1ccc2cccc(OCCN3CC4(CCOC4)CCC3=O)c2n1
InChIInChI=1S/C20H24N2O3/c1-15-5-6-16-3-2-4-17(19(16)21-15)25-12-10-22-13-20(8-7-18(22)23)9-11-24-14-20/h2-6H,7-14H2,1H3
InChIKeyGZAAOCSNGCXJGQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.95
Rot. Bonds4

About 9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 72916661) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID72916661
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCc1ccc2cccc(OCCN3CC4(CCOC4)CCC3=O)c2n1
InChIInChI=1S/C20H24N2O3/c1-15-5-6-16-3-2-4-17(19(16)21-15)25-12-10-22-13-20(8-7-18(22)23)9-11-24-14-20/h2-6H,7-14H2,1H3
InChIKeyGZAAOCSNGCXJGQ-UHFFFAOYSA-N
XLogP2.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 72916661) is 9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is Cc1ccc2cccc(OCCN3CC4(CCOC4)CCC3=O)c2n1.
What is the InChIKey of 9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is GZAAOCSNGCXJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-5-6-16-3-2-4-17(19(16)21-15)25-12-10-22-13-20(8-7-18(22)23)9-11-24-14-20/h2-6H,7-14H2,1H3.
What are the key properties of 9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 340.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 72916661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).