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Oxolinic acid

C13H11NO5 — CID 4628

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Data last refreshed: (MolForge compound catalog, from PubChem)

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 Oxolinic acid

Oxolinic 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 NameOxolinic 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
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
1-Ethyl-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 659219

Frequently Asked Questions

What is the IUPAC name of Oxolinic acid?
The IUPAC name of Oxolinic acid (CID 4628) is 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.
What is the SMILES notation for Oxolinic acid?
The canonical SMILES for Oxolinic acid is CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3.
What is the InChIKey of Oxolinic 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 Oxolinic acid?
Oxolinic 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 Oxolinic acid is sourced from PubChem (CID 4628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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