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

C19H23NO5 — CID 142567545

IUPAC5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCCCCCCCCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C19H23NO5/c1-2-3-4-5-6-7-8-20-11-14(19(22)23)18(21)13-9-16-17(10-15(13)20)25-12-24-16/h9-11H,2-8,12H2,1H3,(H,22,23)
InChIKeyZIOOIGCNJFCUQA-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.79
Rot. Bonds8

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

5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (PubChem CID 142567545) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
PubChem CID142567545
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCCCCCCCCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C19H23NO5/c1-2-3-4-5-6-7-8-20-11-14(19(22)23)18(21)13-9-16-17(10-15(13)20)25-12-24-16/h9-11H,2-8,12H2,1H3,(H,22,23)
InChIKeyZIOOIGCNJFCUQA-UHFFFAOYSA-N
XLogP3.79
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The IUPAC name of 5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (CID 142567545) is 5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.
What is the SMILES notation for 5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The canonical SMILES for 5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is CCCCCCCCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3.
What is the InChIKey of 5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The InChIKey is ZIOOIGCNJFCUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-2-3-4-5-6-7-8-20-11-14(19(22)23)18(21)13-9-16-17(10-15(13)20)25-12-24-16/h9-11H,2-8,12H2,1H3,(H,22,23).
What are the key properties of 5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is sourced from PubChem (CID 142567545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).