4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one

C19H24N2O3 — CID 5308625

IUPAC4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one
SMILESCCC1CCCCN1C(=O)COc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C19H24N2O3/c1-3-14-8-6-7-11-21(14)19(23)13-24-17-12-18(22)20(2)16-10-5-4-9-15(16)17/h4-5,9-10,12,14H,3,6-8,11,13H2,1-2H3
InChIKeyZBWTWXBDXFXINE-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.71
Rot. Bonds4

About 4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one

4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one (PubChem CID 5308625) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one
PubChem CID5308625
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one
SMILESCCC1CCCCN1C(=O)COc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C19H24N2O3/c1-3-14-8-6-7-11-21(14)19(23)13-24-17-12-18(22)20(2)16-10-5-4-9-15(16)17/h4-5,9-10,12,14H,3,6-8,11,13H2,1-2H3
InChIKeyZBWTWXBDXFXINE-UHFFFAOYSA-N
XLogP2.71
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
The IUPAC name of 4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one (CID 5308625) is 4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
The canonical SMILES for 4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one is CCC1CCCCN1C(=O)COc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
The InChIKey is ZBWTWXBDXFXINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-14-8-6-7-11-21(14)19(23)13-24-17-12-18(22)20(2)16-10-5-4-9-15(16)17/h4-5,9-10,12,14H,3,6-8,11,13H2,1-2H3.
What are the key properties of 4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one has a molecular weight of 328.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylpiperidin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one is sourced from PubChem (CID 5308625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).