5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C27H17NO6 — CID 91637789

IUPAC5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1CC(c2ccnc3ccccc23)c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O1
InChIInChI=1S/C27H17NO6/c29-15-7-5-14(6-8-15)22-12-20(30)26-21(31)13-23-25(27(26)34-22)18(11-24(32)33-23)16-9-10-28-19-4-2-1-3-17(16)19/h1-10,12-13,18,29,31H,11H2
InChIKeyLFLLWNKHEJRQIR-UHFFFAOYSA-N
MW451.43 g/mol
LogP4.86
Rot. Bonds2

About 5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 91637789) has the molecular formula C27H17NO6 and a molecular weight of 451.43 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID91637789
Molecular FormulaC27H17NO6
Molecular Weight451.43 g/mol
Exact Mass451.11
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1CC(c2ccnc3ccccc23)c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O1
InChIInChI=1S/C27H17NO6/c29-15-7-5-14(6-8-15)22-12-20(30)26-21(31)13-23-25(27(26)34-22)18(11-24(32)33-23)16-9-10-28-19-4-2-1-3-17(16)19/h1-10,12-13,18,29,31H,11H2
InChIKeyLFLLWNKHEJRQIR-UHFFFAOYSA-N
XLogP4.86
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-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 5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 91637789) is 5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is O=C1CC(c2ccnc3ccccc23)c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O1.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is LFLLWNKHEJRQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17NO6/c29-15-7-5-14(6-8-15)22-12-20(30)26-21(31)13-23-25(27(26)34-22)18(11-24(32)33-23)16-9-10-28-19-4-2-1-3-17(16)19/h1-10,12-13,18,29,31H,11H2.
What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 451.43 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 91637789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).