8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid

C11H7NO5 — CID 63376945

IUPAC8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C11H7NO5/c13-8-2-7(11(14)15)12-6-3-10-9(1-5(6)8)16-4-17-10/h1-3H,4H2,(H,12,13)(H,14,15)
InChIKeyZMGKTTXDTBXWOR-UHFFFAOYSA-N
MW233.18 g/mol
LogP0.95
Rot. Bonds1

About 8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid

8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid (PubChem CID 63376945) has the molecular formula C11H7NO5 and a molecular weight of 233.18 g/mol. Its IUPAC name is 8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid
PubChem CID63376945
Molecular FormulaC11H7NO5
Molecular Weight233.18 g/mol
Exact Mass233.03
IUPAC Name8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C11H7NO5/c13-8-2-7(11(14)15)12-6-3-10-9(1-5(6)8)16-4-17-10/h1-3H,4H2,(H,12,13)(H,14,15)
InChIKeyZMGKTTXDTBXWOR-UHFFFAOYSA-N
XLogP0.95
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid?
The IUPAC name of 8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid (CID 63376945) is 8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid.
What is the SMILES notation for 8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid?
The canonical SMILES for 8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid is O=C(O)c1cc(=O)c2cc3c(cc2[nH]1)OCO3.
What is the InChIKey of 8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid?
The InChIKey is ZMGKTTXDTBXWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO5/c13-8-2-7(11(14)15)12-6-3-10-9(1-5(6)8)16-4-17-10/h1-3H,4H2,(H,12,13)(H,14,15).
What are the key properties of 8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid?
8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid has a molecular weight of 233.18 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid is sourced from PubChem (CID 63376945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).