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

C13H11NO5 — CID 4628

💊View drug profile → oxolinic acid
IUPAC5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)
InChIKeyKYGZCKSPAKDVKC-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.45
Rot. Bonds2

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

5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (PubChem CID 4628) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
PubChem CID4628
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)
InChIKeyKYGZCKSPAKDVKC-UHFFFAOYSA-N
XLogP1.45
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Decoquinate
CID 29112
Cinoxacin
CID 2762
Buquinolate
CID 21651
Miloxacin
CID 37614
Ethyl 5-Ethyl-8-oxo-5,8-dihydro-1,3-dioxolo[4,5-g]quinoline-7-carboxylate (Oxolinic Acid Ethyl Ester)
CID 3504015
9-hydroxy-2H,3H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid
CID 2874795
6-{[(6-Acetyl-1,3-benzodioxol-5-yl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid
CID 601673
6-Phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 372269
6-(3-Methoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 373169
6-[3-(methylamino)phenyl]-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 375858
6-(3-Hydroxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 375859
1-Ethyl-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 659219

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The IUPAC name of 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (CID 4628) is 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.
What is the SMILES notation for 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The canonical SMILES for 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3.
What is the InChIKey of 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The InChIKey is KYGZCKSPAKDVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17).
What are the key properties of 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid has a molecular weight of 261.23 g/mol, XLogP of 1.45, 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-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is sourced from PubChem (CID 4628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).