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

C28H19NO7 — CID 99996722

IUPAC(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2ccnc3ccccc23)CC(=O)O4)cc1O
InChIInChI=1S/C28H19NO7/c1-34-22-7-6-14(10-19(22)30)23-12-20(31)27-21(32)13-24-26(28(27)36-23)17(11-25(33)35-24)15-8-9-29-18-5-3-2-4-16(15)18/h2-10,12-13,17,30,32H,11H2,1H3/t17-/m1/s1
InChIKeyIYDYMABVACHIPF-QGZVFWFLSA-N
MW481.46 g/mol
LogP4.87
Rot. Bonds3

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

(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 99996722) has the molecular formula C28H19NO7 and a molecular weight of 481.46 g/mol. Its IUPAC name is (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID99996722
Molecular FormulaC28H19NO7
Molecular Weight481.46 g/mol
Exact Mass481.12
IUPAC Name(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2ccnc3ccccc23)CC(=O)O4)cc1O
InChIInChI=1S/C28H19NO7/c1-34-22-7-6-14(10-19(22)30)23-12-20(31)27-21(32)13-24-26(28(27)36-23)17(11-25(33)35-24)15-8-9-29-18-5-3-2-4-16(15)18/h2-10,12-13,17,30,32H,11H2,1H3/t17-/m1/s1
InChIKeyIYDYMABVACHIPF-QGZVFWFLSA-N
XLogP4.87
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637789
(10R)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99985008
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91636912
(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99994284
2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827011
(10S)-5-hydroxy-2-phenyl-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424731
(10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99995119
(10R)-10-(3,4-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99986406
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637214
(10S)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99997272
10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91636470
(10S)-5-hydroxy-2-phenyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423912

Frequently Asked Questions

What is the IUPAC name of (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 99996722) is (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2ccnc3ccccc23)CC(=O)O4)cc1O.
What is the InChIKey of (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is IYDYMABVACHIPF-QGZVFWFLSA-N. The full InChI is InChI=1S/C28H19NO7/c1-34-22-7-6-14(10-19(22)30)23-12-20(31)27-21(32)13-24-26(28(27)36-23)17(11-25(33)35-24)15-8-9-29-18-5-3-2-4-16(15)18/h2-10,12-13,17,30,32H,11H2,1H3/t17-/m1/s1.
What are the key properties of (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 481.46 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 99996722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).