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

C18H11NO4 — CID 54681623

IUPAC4-hydroxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1cc(O)c2c(=O)n(-c3ccccc3)c3ccccc3c2o1
InChIInChI=1S/C18H11NO4/c20-14-10-15(21)23-17-12-8-4-5-9-13(12)19(18(22)16(14)17)11-6-2-1-3-7-11/h1-10,20H
InChIKeyJULHLMULLDMMOV-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.80
Rot. Bonds1

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

4-hydroxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione (PubChem CID 54681623) has the molecular formula C18H11NO4 and a molecular weight of 305.29 g/mol. Its IUPAC name is 4-hydroxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione
PubChem CID54681623
Molecular FormulaC18H11NO4
Molecular Weight305.29 g/mol
Exact Mass305.07
IUPAC Name4-hydroxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1cc(O)c2c(=O)n(-c3ccccc3)c3ccccc3c2o1
InChIInChI=1S/C18H11NO4/c20-14-10-15(21)23-17-12-8-4-5-9-13(12)19(18(22)16(14)17)11-6-2-1-3-7-11/h1-10,20H
InChIKeyJULHLMULLDMMOV-UHFFFAOYSA-N
XLogP2.80
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.80
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-phenylpyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 4-hydroxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione (CID 54681623) is 4-hydroxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 4-hydroxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 4-hydroxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione is O=c1cc(O)c2c(=O)n(-c3ccccc3)c3ccccc3c2o1.
What is the InChIKey of 4-hydroxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is JULHLMULLDMMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO4/c20-14-10-15(21)23-17-12-8-4-5-9-13(12)19(18(22)16(14)17)11-6-2-1-3-7-11/h1-10,20H.
What are the key properties of 4-hydroxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione?
4-hydroxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 305.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 54681623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).