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

C28H19NO8 — CID 99992163

IUPAC(10R)-5-hydroxy-2-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc2cc([C@@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc5c43)c(=O)[nH]c2c1
InChIInChI=1S/C28H19NO8/c1-35-16-7-4-14-8-18(28(34)29-19(14)9-16)17-10-24(33)36-23-12-21(32)26-20(31)11-22(37-27(26)25(17)23)13-2-5-15(30)6-3-13/h2-9,11-12,17,30,32H,10H2,1H3,(H,29,34)/t17-/m0/s1
InChIKeyIEEHFKPKNKEALB-KRWDZBQOSA-N
MW497.46 g/mol
LogP4.16
Rot. Bonds3

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

(10R)-5-hydroxy-2-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 99992163) has the molecular formula C28H19NO8 and a molecular weight of 497.46 g/mol. Its IUPAC name is (10R)-5-hydroxy-2-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10R)-5-hydroxy-2-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID99992163
Molecular FormulaC28H19NO8
Molecular Weight497.46 g/mol
Exact Mass497.11
IUPAC Name(10R)-5-hydroxy-2-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc2cc([C@@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc5c43)c(=O)[nH]c2c1
InChIInChI=1S/C28H19NO8/c1-35-16-7-4-14-8-18(28(34)29-19(14)9-16)17-10-24(33)36-23-12-21(32)26-20(31)11-22(37-27(26)25(17)23)13-2-5-15(30)6-3-13/h2-9,11-12,17,30,32H,10H2,1H3,(H,29,34)/t17-/m0/s1
InChIKeyIEEHFKPKNKEALB-KRWDZBQOSA-N
XLogP4.16
TPSA139.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.46
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424990
(10R)-10-(2,4-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99985971
(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
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 75356706
(10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99995119
(10S)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99997272
5-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637527
methyl 4-[(10R)-5-hydroxy-2-(4-hydroxyphenyl)-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]benzoate
CID 99989995
(10S)-5-hydroxy-2-phenyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423912
(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
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91636912
(4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125430529

Frequently Asked Questions

What is the IUPAC name of (10R)-5-hydroxy-2-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10R)-5-hydroxy-2-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 99992163) is (10R)-5-hydroxy-2-(4-hydroxyphenyl)-10-(7-methoxy-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-2-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10R)-5-hydroxy-2-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc2cc([C@@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc5c43)c(=O)[nH]c2c1.
What is the InChIKey of (10R)-5-hydroxy-2-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is IEEHFKPKNKEALB-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H19NO8/c1-35-16-7-4-14-8-18(28(34)29-19(14)9-16)17-10-24(33)36-23-12-21(32)26-20(31)11-22(37-27(26)25(17)23)13-2-5-15(30)6-3-13/h2-9,11-12,17,30,32H,10H2,1H3,(H,29,34)/t17-/m0/s1.
What are the key properties of (10R)-5-hydroxy-2-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10R)-5-hydroxy-2-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 497.46 g/mol, XLogP of 4.16, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-5-hydroxy-2-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 99992163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).