1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one

C19H24N2O3 — CID 6622489

IUPAC1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one
SMILESCCn1c(=O)cc(OCC(=O)N2CCCCC2C)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-3-20-16-10-5-4-9-15(16)17(12-18(20)22)24-13-19(23)21-11-7-6-8-14(21)2/h4-5,9-10,12,14H,3,6-8,11,13H2,1-2H3
InChIKeyMZHMHPGUDHCHGN-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.80
Rot. Bonds4

About 1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one

1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one (PubChem CID 6622489) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one
PubChem CID6622489
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one
SMILESCCn1c(=O)cc(OCC(=O)N2CCCCC2C)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-3-20-16-10-5-4-9-15(16)17(12-18(20)22)24-13-19(23)21-11-7-6-8-14(21)2/h4-5,9-10,12,14H,3,6-8,11,13H2,1-2H3
InChIKeyMZHMHPGUDHCHGN-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one?
The IUPAC name of 1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one (CID 6622489) is 1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one.
What is the SMILES notation for 1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one?
The canonical SMILES for 1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one is CCn1c(=O)cc(OCC(=O)N2CCCCC2C)c2ccccc21.
What is the InChIKey of 1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one?
The InChIKey is MZHMHPGUDHCHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-20-16-10-5-4-9-15(16)17(12-18(20)22)24-13-19(23)21-11-7-6-8-14(21)2/h4-5,9-10,12,14H,3,6-8,11,13H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one?
1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one has a molecular weight of 328.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]quinolin-2-one is sourced from PubChem (CID 6622489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).