7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid

C14H9NO6 — CID 12724106

IUPAC7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid
SMILESCOc1cccc2c1[nH]c(=O)c1c(=O)cc(C(=O)O)oc12
InChIInChI=1S/C14H9NO6/c1-20-8-4-2-3-6-11(8)15-13(17)10-7(16)5-9(14(18)19)21-12(6)10/h2-5H,1H3,(H,15,17)(H,18,19)
InChIKeyQXJXJDMEWJEROQ-UHFFFAOYSA-N
MW287.23 g/mol
LogP1.34
Rot. Bonds2

About 7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid

7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid (PubChem CID 12724106) has the molecular formula C14H9NO6 and a molecular weight of 287.23 g/mol. Its IUPAC name is 7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid
PubChem CID12724106
Molecular FormulaC14H9NO6
Molecular Weight287.23 g/mol
Exact Mass287.04
IUPAC Name7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid
SMILESCOc1cccc2c1[nH]c(=O)c1c(=O)cc(C(=O)O)oc12
InChIInChI=1S/C14H9NO6/c1-20-8-4-2-3-6-11(8)15-13(17)10-7(16)5-9(14(18)19)21-12(6)10/h2-5H,1H3,(H,15,17)(H,18,19)
InChIKeyQXJXJDMEWJEROQ-UHFFFAOYSA-N
XLogP1.34
TPSA109.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid?
The IUPAC name of 7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid (CID 12724106) is 7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid?
The canonical SMILES for 7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid is COc1cccc2c1[nH]c(=O)c1c(=O)cc(C(=O)O)oc12.
What is the InChIKey of 7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid?
The InChIKey is QXJXJDMEWJEROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO6/c1-20-8-4-2-3-6-11(8)15-13(17)10-7(16)5-9(14(18)19)21-12(6)10/h2-5H,1H3,(H,15,17)(H,18,19).
What are the key properties of 7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid?
7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid has a molecular weight of 287.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid is sourced from PubChem (CID 12724106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).