ethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

C15H15NO5 — CID 3504015

IUPACethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C15H15NO5/c1-3-16-7-10(15(18)19-4-2)14(17)9-5-12-13(6-11(9)16)21-8-20-12/h5-7H,3-4,8H2,1-2H3
InChIKeyCYMFYZIILBAUGI-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.93
Rot. Bonds3

About ethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

ethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate (PubChem CID 3504015) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is ethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
PubChem CID3504015
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Nameethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C15H15NO5/c1-3-16-7-10(15(18)19-4-2)14(17)9-5-12-13(6-11(9)16)21-8-20-12/h5-7H,3-4,8H2,1-2H3
InChIKeyCYMFYZIILBAUGI-UHFFFAOYSA-N
XLogP1.93
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The IUPAC name of ethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate (CID 3504015) is ethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The canonical SMILES for ethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate is CCOC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3.
What is the InChIKey of ethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
The InChIKey is CYMFYZIILBAUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-3-16-7-10(15(18)19-4-2)14(17)9-5-12-13(6-11(9)16)21-8-20-12/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate?
ethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate is sourced from PubChem (CID 3504015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).