8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

C19H15NO6 — CID 155609725

IUPAC8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESO=C(O)c1cn(CCOc2ccccc2)c2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C19H15NO6/c21-18-13-8-16-17(26-11-25-16)9-15(13)20(10-14(18)19(22)23)6-7-24-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H,22,23)
InChIKeyBPWJCISNDBJBKB-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.51
Rot. Bonds5

About 8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (PubChem CID 155609725) has the molecular formula C19H15NO6 and a molecular weight of 353.33 g/mol. Its IUPAC name is 8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
PubChem CID155609725
Molecular FormulaC19H15NO6
Molecular Weight353.33 g/mol
Exact Mass353.09
IUPAC Name8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESO=C(O)c1cn(CCOc2ccccc2)c2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C19H15NO6/c21-18-13-8-16-17(26-11-25-16)9-15(13)20(10-14(18)19(22)23)6-7-24-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H,22,23)
InChIKeyBPWJCISNDBJBKB-UHFFFAOYSA-N
XLogP2.51
TPSA86.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The IUPAC name of 8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (CID 155609725) is 8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.
What is the SMILES notation for 8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The canonical SMILES for 8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is O=C(O)c1cn(CCOc2ccccc2)c2cc3c(cc2c1=O)OCO3.
What is the InChIKey of 8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The InChIKey is BPWJCISNDBJBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO6/c21-18-13-8-16-17(26-11-25-16)9-15(13)20(10-14(18)19(22)23)6-7-24-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H,22,23).
What are the key properties of 8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid has a molecular weight of 353.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is sourced from PubChem (CID 155609725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).