5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

C14H12N2O7 — CID 70507084

IUPAC5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCOC(=O)N(C)n1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C14H12N2O7/c1-15(14(20)21-2)16-5-8(13(18)19)12(17)7-3-10-11(4-9(7)16)23-6-22-10/h3-5H,6H2,1-2H3,(H,18,19)
InChIKeyPIOOJJSICHKVKL-UHFFFAOYSA-N
MW320.26 g/mol
LogP0.76
Rot. Bonds2

About 5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (PubChem CID 70507084) has the molecular formula C14H12N2O7 and a molecular weight of 320.26 g/mol. Its IUPAC name is 5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
PubChem CID70507084
Molecular FormulaC14H12N2O7
Molecular Weight320.26 g/mol
Exact Mass320.06
IUPAC Name5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCOC(=O)N(C)n1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C14H12N2O7/c1-15(14(20)21-2)16-5-8(13(18)19)12(17)7-3-10-11(4-9(7)16)23-6-22-10/h3-5H,6H2,1-2H3,(H,18,19)
InChIKeyPIOOJJSICHKVKL-UHFFFAOYSA-N
XLogP0.76
TPSA107.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The IUPAC name of 5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (CID 70507084) is 5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.
What is the SMILES notation for 5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The canonical SMILES for 5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is COC(=O)N(C)n1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3.
What is the InChIKey of 5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The InChIKey is PIOOJJSICHKVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O7/c1-15(14(20)21-2)16-5-8(13(18)19)12(17)7-3-10-11(4-9(7)16)23-6-22-10/h3-5H,6H2,1-2H3,(H,18,19).
What are the key properties of 5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid has a molecular weight of 320.26 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxycarbonyl(methyl)amino]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is sourced from PubChem (CID 70507084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).