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

C19H13NO4 — CID 54696637

IUPAC6-benzyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1cc(O)c2c(=O)n(Cc3ccccc3)c3ccccc3c2o1
InChIInChI=1S/C19H13NO4/c21-15-10-16(22)24-18-13-8-4-5-9-14(13)20(19(23)17(15)18)11-12-6-2-1-3-7-12/h1-10,21H,11H2
InChIKeyAJJYWRQCFZPYQY-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.86
Rot. Bonds2

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

6-benzyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione (PubChem CID 54696637) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 6-benzyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name6-benzyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
PubChem CID54696637
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name6-benzyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1cc(O)c2c(=O)n(Cc3ccccc3)c3ccccc3c2o1
InChIInChI=1S/C19H13NO4/c21-15-10-16(22)24-18-13-8-4-5-9-14(13)20(19(23)17(15)18)11-12-6-2-1-3-7-12/h1-10,21H,11H2
InChIKeyAJJYWRQCFZPYQY-UHFFFAOYSA-N
XLogP2.86
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.86
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-benzyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 6-benzyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione (CID 54696637) is 6-benzyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 6-benzyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 6-benzyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione is O=c1cc(O)c2c(=O)n(Cc3ccccc3)c3ccccc3c2o1.
What is the InChIKey of 6-benzyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is AJJYWRQCFZPYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c21-15-10-16(22)24-18-13-8-4-5-9-14(13)20(19(23)17(15)18)11-12-6-2-1-3-7-12/h1-10,21H,11H2.
What are the key properties of 6-benzyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
6-benzyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 319.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 54696637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).