ethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate

C17H19NO5 — CID 166439226

IUPACethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)c(C2COCCO2)cc2ccccc21
InChIInChI=1S/C17H19NO5/c1-2-22-16(19)10-18-14-6-4-3-5-12(14)9-13(17(18)20)15-11-21-7-8-23-15/h3-6,9,15H,2,7-8,10-11H2,1H3
InChIKeyQLNUXRYARFACGQ-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.65
Rot. Bonds4

About ethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate

ethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate (PubChem CID 166439226) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is ethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate
PubChem CID166439226
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Nameethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)c(C2COCCO2)cc2ccccc21
InChIInChI=1S/C17H19NO5/c1-2-22-16(19)10-18-14-6-4-3-5-12(14)9-13(17(18)20)15-11-21-7-8-23-15/h3-6,9,15H,2,7-8,10-11H2,1H3
InChIKeyQLNUXRYARFACGQ-UHFFFAOYSA-N
XLogP1.65
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate (CID 166439226) is ethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate is CCOC(=O)Cn1c(=O)c(C2COCCO2)cc2ccccc21.
What is the InChIKey of ethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate?
The InChIKey is QLNUXRYARFACGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-2-22-16(19)10-18-14-6-4-3-5-12(14)9-13(17(18)20)15-11-21-7-8-23-15/h3-6,9,15H,2,7-8,10-11H2,1H3.
What are the key properties of ethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate?
ethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate has a molecular weight of 317.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(1,4-dioxan-2-yl)-2-oxoquinolin-1-yl]acetate is sourced from PubChem (CID 166439226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).