4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione

C15H13NO4 — CID 54687582

IUPAC4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione
SMILESCC(C)n1c(=O)c2c(O)cc(=O)oc2c2ccccc21
InChIInChI=1S/C15H13NO4/c1-8(2)16-10-6-4-3-5-9(10)14-13(15(16)19)11(17)7-12(18)20-14/h3-8,17H,1-2H3
InChIKeyPBBMHDQZZBVLCA-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.39
Rot. Bonds1

About 4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione

4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione (PubChem CID 54687582) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione
PubChem CID54687582
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione
SMILESCC(C)n1c(=O)c2c(O)cc(=O)oc2c2ccccc21
InChIInChI=1S/C15H13NO4/c1-8(2)16-10-6-4-3-5-9(10)14-13(15(16)19)11(17)7-12(18)20-14/h3-8,17H,1-2H3
InChIKeyPBBMHDQZZBVLCA-UHFFFAOYSA-N
XLogP2.39
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.39
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 4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione (CID 54687582) is 4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione is CC(C)n1c(=O)c2c(O)cc(=O)oc2c2ccccc21.
What is the InChIKey of 4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is PBBMHDQZZBVLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-8(2)16-10-6-4-3-5-9(10)14-13(15(16)19)11(17)7-12(18)20-14/h3-8,17H,1-2H3.
What are the key properties of 4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione?
4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 271.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 54687582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).