4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione

C14H11NO5 — CID 54708982

IUPAC4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione
SMILESCOc1ccc2c3oc(=O)cc(O)c3c(=O)n(C)c2c1
InChIInChI=1S/C14H11NO5/c1-15-9-5-7(19-2)3-4-8(9)13-12(14(15)18)10(16)6-11(17)20-13/h3-6,16H,1-2H3
InChIKeyOGUDTVHIYRYVBO-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.36
Rot. Bonds1

About 4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione

4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione (PubChem CID 54708982) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione
PubChem CID54708982
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione
SMILESCOc1ccc2c3oc(=O)cc(O)c3c(=O)n(C)c2c1
InChIInChI=1S/C14H11NO5/c1-15-9-5-7(19-2)3-4-8(9)13-12(14(15)18)10(16)6-11(17)20-13/h3-6,16H,1-2H3
InChIKeyOGUDTVHIYRYVBO-UHFFFAOYSA-N
XLogP1.36
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione (CID 54708982) is 4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione is COc1ccc2c3oc(=O)cc(O)c3c(=O)n(C)c2c1.
What is the InChIKey of 4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is OGUDTVHIYRYVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-15-9-5-7(19-2)3-4-8(9)13-12(14(15)18)10(16)6-11(17)20-13/h3-6,16H,1-2H3.
What are the key properties of 4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione?
4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 273.24 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 54708982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).