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

C28H19NO7 — CID 125429092

IUPAC(10R)-5-hydroxy-3-(2-methoxyphenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccccc1-c1coc2c3c(cc(O)c2c1=O)OC(=O)C[C@H]3c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C28H19NO7/c1-34-21-9-5-3-7-15(21)18-13-35-27-24-16(17-10-14-6-2-4-8-19(14)29-28(17)33)11-23(31)36-22(24)12-20(30)25(27)26(18)32/h2-10,12-13,16,30H,11H2,1H3,(H,29,33)/t16-/m0/s1
InChIKeyKTBQBLOVWJCBDS-INIZCTEOSA-N
MW481.46 g/mol
LogP4.46
Rot. Bonds3

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

(10R)-5-hydroxy-3-(2-methoxyphenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 125429092) has the molecular formula C28H19NO7 and a molecular weight of 481.46 g/mol. Its IUPAC name is (10R)-5-hydroxy-3-(2-methoxyphenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10R)-5-hydroxy-3-(2-methoxyphenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID125429092
Molecular FormulaC28H19NO7
Molecular Weight481.46 g/mol
Exact Mass481.12
IUPAC Name(10R)-5-hydroxy-3-(2-methoxyphenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccccc1-c1coc2c3c(cc(O)c2c1=O)OC(=O)C[C@H]3c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C28H19NO7/c1-34-21-9-5-3-7-15(21)18-13-35-27-24-16(17-10-14-6-2-4-8-19(14)29-28(17)33)11-23(31)36-22(24)12-20(30)25(27)26(18)32/h2-10,12-13,16,30H,11H2,1H3,(H,29,33)/t16-/m0/s1
InChIKeyKTBQBLOVWJCBDS-INIZCTEOSA-N
XLogP4.46
TPSA118.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125122596
(10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(6-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125429211
(10S)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423819
(10S)-5-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125430199
(10S)-5-hydroxy-10-(2-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 96544551
(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
(10R)-10-(2,4-dimethoxyphenyl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045944
(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045925
(10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 124917636
5-hydroxy-3-(4-methoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71754809
(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-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125428229

Frequently Asked Questions

What is the IUPAC name of (10R)-5-hydroxy-3-(2-methoxyphenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10R)-5-hydroxy-3-(2-methoxyphenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 125429092) is (10R)-5-hydroxy-3-(2-methoxyphenyl)-10-(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-(2-methoxyphenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10R)-5-hydroxy-3-(2-methoxyphenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccccc1-c1coc2c3c(cc(O)c2c1=O)OC(=O)C[C@H]3c1cc2ccccc2[nH]c1=O.
What is the InChIKey of (10R)-5-hydroxy-3-(2-methoxyphenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is KTBQBLOVWJCBDS-INIZCTEOSA-N. The full InChI is InChI=1S/C28H19NO7/c1-34-21-9-5-3-7-15(21)18-13-35-27-24-16(17-10-14-6-2-4-8-19(14)29-28(17)33)11-23(31)36-22(24)12-20(30)25(27)26(18)32/h2-10,12-13,16,30H,11H2,1H3,(H,29,33)/t16-/m0/s1.
What are the key properties of (10R)-5-hydroxy-3-(2-methoxyphenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10R)-5-hydroxy-3-(2-methoxyphenyl)-10-(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, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-5-hydroxy-3-(2-methoxyphenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 125429092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).