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

C16H15NO4 — CID 54694076

IUPAC6-butyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
SMILESCCCCn1c(=O)c2c(O)cc(=O)oc2c2ccccc21
InChIInChI=1S/C16H15NO4/c1-2-3-8-17-11-7-5-4-6-10(11)15-14(16(17)20)12(18)9-13(19)21-15/h4-7,9,18H,2-3,8H2,1H3
InChIKeyWMBIIJONDDZXMP-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.61
Rot. Bonds3

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

6-butyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione (PubChem CID 54694076) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-butyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name6-butyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
PubChem CID54694076
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name6-butyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
SMILESCCCCn1c(=O)c2c(O)cc(=O)oc2c2ccccc21
InChIInChI=1S/C16H15NO4/c1-2-3-8-17-11-7-5-4-6-10(11)15-14(16(17)20)12(18)9-13(19)21-15/h4-7,9,18H,2-3,8H2,1H3
InChIKeyWMBIIJONDDZXMP-UHFFFAOYSA-N
XLogP2.61
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-butyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 6-butyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione (CID 54694076) is 6-butyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 6-butyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 6-butyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione is CCCCn1c(=O)c2c(O)cc(=O)oc2c2ccccc21.
What is the InChIKey of 6-butyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is WMBIIJONDDZXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-2-3-8-17-11-7-5-4-6-10(11)15-14(16(17)20)12(18)9-13(19)21-15/h4-7,9,18H,2-3,8H2,1H3.
What are the key properties of 6-butyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
6-butyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 285.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 54694076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).