[1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid

C10H6N2O4 — CID 23401185

IUPAC[1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid
SMILESO=C(O)c1cnnc2cc3c(cc12)OCO3
InChIInChI=1S/C10H6N2O4/c13-10(14)6-3-11-12-7-2-9-8(1-5(6)7)15-4-16-9/h1-3H,4H2,(H,13,14)
InChIKeyQXLBDCYPGDFBGS-UHFFFAOYSA-N
MW218.17 g/mol
LogP1.06
Rot. Bonds1

About [1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid

[1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid (PubChem CID 23401185) has the molecular formula C10H6N2O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is [1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid.

Molecular Properties

Compound Name[1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid
PubChem CID23401185
Molecular FormulaC10H6N2O4
Molecular Weight218.17 g/mol
Exact Mass218.03
IUPAC Name[1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid
SMILESO=C(O)c1cnnc2cc3c(cc12)OCO3
InChIInChI=1S/C10H6N2O4/c13-10(14)6-3-11-12-7-2-9-8(1-5(6)7)15-4-16-9/h1-3H,4H2,(H,13,14)
InChIKeyQXLBDCYPGDFBGS-UHFFFAOYSA-N
XLogP1.06
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid?
The IUPAC name of [1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid (CID 23401185) is [1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid.
What is the SMILES notation for [1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid?
The canonical SMILES for [1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid is O=C(O)c1cnnc2cc3c(cc12)OCO3.
What is the InChIKey of [1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid?
The InChIKey is QXLBDCYPGDFBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4/c13-10(14)6-3-11-12-7-2-9-8(1-5(6)7)15-4-16-9/h1-3H,4H2,(H,13,14).
What are the key properties of [1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid?
[1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid has a molecular weight of 218.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]dioxolo[4,5-g]cinnoline-4-carboxylic acid is sourced from PubChem (CID 23401185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).