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

C13H12N2O5 — CID 3040066

IUPAC9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c(N)c3c(cc21)OCO3
InChIInChI=1S/C13H12N2O5/c1-2-15-4-6(13(17)18)11(16)9-7(15)3-8-12(10(9)14)20-5-19-8/h3-4H,2,5,14H2,1H3,(H,17,18)
InChIKeyDZKGUVVWZUCSJU-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.03
Rot. Bonds2

About 9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (PubChem CID 3040066) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
PubChem CID3040066
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c(N)c3c(cc21)OCO3
InChIInChI=1S/C13H12N2O5/c1-2-15-4-6(13(17)18)11(16)9-7(15)3-8-12(10(9)14)20-5-19-8/h3-4H,2,5,14H2,1H3,(H,17,18)
InChIKeyDZKGUVVWZUCSJU-UHFFFAOYSA-N
XLogP1.03
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The IUPAC name of 9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (CID 3040066) is 9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.
What is the SMILES notation for 9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The canonical SMILES for 9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2c(N)c3c(cc21)OCO3.
What is the InChIKey of 9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The InChIKey is DZKGUVVWZUCSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-2-15-4-6(13(17)18)11(16)9-7(15)3-8-12(10(9)14)20-5-19-8/h3-4H,2,5,14H2,1H3,(H,17,18).
What are the key properties of 9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid has a molecular weight of 276.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is sourced from PubChem (CID 3040066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).