6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione

C14H11NO4 — CID 54687668

IUPAC6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
SMILESCCn1c(=O)c2c(O)cc(=O)oc2c2ccccc21
InChIInChI=1S/C14H11NO4/c1-2-15-9-6-4-3-5-8(9)13-12(14(15)18)10(16)7-11(17)19-13/h3-7,16H,2H2,1H3
InChIKeyQXLFCAOVWBNKOW-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.83
Rot. Bonds1

About 6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione

6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione (PubChem CID 54687668) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
PubChem CID54687668
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
SMILESCCn1c(=O)c2c(O)cc(=O)oc2c2ccccc21
InChIInChI=1S/C14H11NO4/c1-2-15-9-6-4-3-5-8(9)13-12(14(15)18)10(16)7-11(17)19-13/h3-7,16H,2H2,1H3
InChIKeyQXLFCAOVWBNKOW-UHFFFAOYSA-N
XLogP1.83
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
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 6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione (CID 54687668) is 6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione is CCn1c(=O)c2c(O)cc(=O)oc2c2ccccc21.
What is the InChIKey of 6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is QXLFCAOVWBNKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-2-15-9-6-4-3-5-8(9)13-12(14(15)18)10(16)7-11(17)19-13/h3-7,16H,2H2,1H3.
What are the key properties of 6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 257.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 54687668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).