(10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C28H19NO7 — CID 97424032

About (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97424032) has the molecular formula C28H19NO7 and a molecular weight of 481.46 g/mol. Its IUPAC name is (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 97424032
• Molecular Formula: C28H19NO7
• Molecular Weight: 481.46 g/mol
• Exact Mass: 481.12
• IUPAC Name: (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: Cc1ccc2cc([C@@H]3CC(=O)Oc4cc(O)c5c(=O)c(-c6ccc(O)cc6)coc5c43)c(=O)[nH]c2c1
• InChI: InChI=1S/C28H19NO7/c1-13-2-3-15-9-18(28(34)29-20(15)8-13)17-10-23(32)36-22-11-21(31)25-26(33)19(12-35-27(25)24(17)22)14-4-6-16(30)7-5-14/h2-9,11-12,17,30-31H,10H2,1H3,(H,29,34)/t17-/m0/s1
• InChIKey: KXBVRUIAQRIQRH-KRWDZBQOSA-N
• XLogP: 4.46
• TPSA: 129.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.46
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97424032) is (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

What is the SMILES notation for (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The canonical SMILES for (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is Cc1ccc2cc([C@@H]3CC(=O)Oc4cc(O)c5c(=O)c(-c6ccc(O)cc6)coc5c43)c(=O)[nH]c2c1.

What is the InChIKey of (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The InChIKey is KXBVRUIAQRIQRH-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H19NO7/c1-13-2-3-15-9-18(28(34)29-20(15)8-13)17-10-23(32)36-22-11-21(31)25-26(33)19(12-35-27(25)24(17)22)14-4-6-16(30)7-5-14/h2-9,11-12,17,30-31H,10H2,1H3,(H,29,34)/t17-/m0/s1.

What are the key properties of (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

(10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 481.46 g/mol, XLogP of 4.46, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97424032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).