(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C27H18N2O6 — CID 97045932

IUPAC(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2cccc3nccnc23)cc1
InChIInChI=1S/C27H18N2O6/c1-33-15-7-5-14(6-8-15)18-13-34-27-23-17(16-3-2-4-19-25(16)29-10-9-28-19)11-22(31)35-21(23)12-20(30)24(27)26(18)32/h2-10,12-13,17,30H,11H2,1H3/t17-/m1/s1
InChIKeyYQMOFDAQHRODIT-QGZVFWFLSA-N
MW466.45 g/mol
LogP4.56
Rot. Bonds3

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

(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97045932) has the molecular formula C27H18N2O6 and a molecular weight of 466.45 g/mol. Its IUPAC name is (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID97045932
Molecular FormulaC27H18N2O6
Molecular Weight466.45 g/mol
Exact Mass466.12
IUPAC Name(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2cccc3nccnc23)cc1
InChIInChI=1S/C27H18N2O6/c1-33-15-7-5-14(6-8-15)18-13-34-27-23-17(16-3-2-4-19-25(16)29-10-9-28-19)11-22(31)35-21(23)12-20(30)24(27)26(18)32/h2-10,12-13,17,30H,11H2,1H3/t17-/m1/s1
InChIKeyYQMOFDAQHRODIT-QGZVFWFLSA-N
XLogP4.56
TPSA111.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045635
(10R)-10-(2,4-dimethoxyphenyl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045944
(10S)-5-hydroxy-10-(2-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 96544551
5-hydroxy-3-(4-methoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71754809
(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045925
5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71753973
5-hydroxy-3-(4-methoxyphenyl)-10-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71754724
(10S)-10-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045810
(10S)-5-hydroxy-3-(4-methoxyphenyl)-10-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045745
(10R)-10-(3,4-dimethoxyphenyl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045645
(10S)-5-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045695
(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-(2-propan-2-ylpyrazol-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045978

Frequently Asked Questions

What is the IUPAC name of (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97045932) is (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2cccc3nccnc23)cc1.
What is the InChIKey of (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is YQMOFDAQHRODIT-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H18N2O6/c1-33-15-7-5-14(6-8-15)18-13-34-27-23-17(16-3-2-4-19-25(16)29-10-9-28-19)11-22(31)35-21(23)12-20(30)24(27)26(18)32/h2-10,12-13,17,30H,11H2,1H3/t17-/m1/s1.
What are the key properties of (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 466.45 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-5-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97045932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).