8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

C17H11NO5 — CID 22480986

IUPAC8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)[nH]c2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C17H11NO5/c19-16-10-6-12-13(23-8-22-12)7-11(10)18-15(14(16)17(20)21)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyDUWJCRXZTYPMPG-UHFFFAOYSA-N
MW309.28 g/mol
LogP2.62
Rot. Bonds2

About 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (PubChem CID 22480986) has the molecular formula C17H11NO5 and a molecular weight of 309.28 g/mol. Its IUPAC name is 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
PubChem CID22480986
Molecular FormulaC17H11NO5
Molecular Weight309.28 g/mol
Exact Mass309.06
IUPAC Name8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)[nH]c2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C17H11NO5/c19-16-10-6-12-13(23-8-22-12)7-11(10)18-15(14(16)17(20)21)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyDUWJCRXZTYPMPG-UHFFFAOYSA-N
XLogP2.62
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The IUPAC name of 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (CID 22480986) is 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.
What is the SMILES notation for 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The canonical SMILES for 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is O=C(O)c1c(-c2ccccc2)[nH]c2cc3c(cc2c1=O)OCO3.
What is the InChIKey of 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The InChIKey is DUWJCRXZTYPMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO5/c19-16-10-6-12-13(23-8-22-12)7-11(10)18-15(14(16)17(20)21)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid has a molecular weight of 309.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is sourced from PubChem (CID 22480986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).