5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid

C13H13NO5 — CID 67812480

IUPAC5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid
SMILESCCC1CC2=C(OCO2)C2=C1N=C(C(=O)O)C(=O)C2
InChIInChI=1S/C13H13NO5/c1-2-6-3-9-12(19-5-18-9)7-4-8(15)11(13(16)17)14-10(6)7/h6H,2-5H2,1H3,(H,16,17)
InChIKeyYJKHCLHCEZFFJR-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.38
Rot. Bonds2

About 5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid

5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid (PubChem CID 67812480) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid
PubChem CID67812480
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid
SMILESCCC1CC2=C(OCO2)C2=C1N=C(C(=O)O)C(=O)C2
InChIInChI=1S/C13H13NO5/c1-2-6-3-9-12(19-5-18-9)7-4-8(15)11(13(16)17)14-10(6)7/h6H,2-5H2,1H3,(H,16,17)
InChIKeyYJKHCLHCEZFFJR-UHFFFAOYSA-N
XLogP1.38
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid?
The IUPAC name of 5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid (CID 67812480) is 5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid.
What is the SMILES notation for 5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid?
The canonical SMILES for 5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid is CCC1CC2=C(OCO2)C2=C1N=C(C(=O)O)C(=O)C2.
What is the InChIKey of 5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid?
The InChIKey is YJKHCLHCEZFFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-2-6-3-9-12(19-5-18-9)7-4-8(15)11(13(16)17)14-10(6)7/h6H,2-5H2,1H3,(H,16,17).
What are the key properties of 5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid?
5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid is sourced from PubChem (CID 67812480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).