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

C28H19NO7 — CID 97424990

IUPAC(10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc2cc([C@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)[nH]c2c1
InChIInChI=1S/C28H19NO7/c1-34-16-8-7-15-9-18(28(33)29-19(15)10-16)17-11-24(32)35-23-13-21(31)26-20(30)12-22(36-27(26)25(17)23)14-5-3-2-4-6-14/h2-10,12-13,17,31H,11H2,1H3,(H,29,33)/t17-/m1/s1
InChIKeyUKIKGGCPRGWISI-QGZVFWFLSA-N
MW481.46 g/mol
LogP4.46
Rot. Bonds3

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

(10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97424990) has the molecular formula C28H19NO7 and a molecular weight of 481.46 g/mol. Its IUPAC name is (10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID97424990
Molecular FormulaC28H19NO7
Molecular Weight481.46 g/mol
Exact Mass481.12
IUPAC Name(10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc2cc([C@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)[nH]c2c1
InChIInChI=1S/C28H19NO7/c1-34-16-8-7-15-9-18(28(33)29-19(15)10-16)17-11-24(32)35-23-13-21(31)26-20(30)12-22(36-27(26)25(17)23)14-5-3-2-4-6-14/h2-10,12-13,17,31H,11H2,1H3,(H,29,33)/t17-/m1/s1
InChIKeyUKIKGGCPRGWISI-QGZVFWFLSA-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

(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
(10S)-5-hydroxy-2-phenyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423912
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
(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-2-phenyl-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424731
(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
(10R)-5-hydroxy-10-(5-methylfuran-2-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97425594
(10R)-5-hydroxy-10-(1-methyl-2-oxoquinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424971
(10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424502
(10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99995119
(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
(10R)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424900

Frequently Asked Questions

What is the IUPAC name of (10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (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) is (10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc2cc([C@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)[nH]c2c1.
What is the InChIKey of (10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is UKIKGGCPRGWISI-QGZVFWFLSA-N. The full InChI is InChI=1S/C28H19NO7/c1-34-16-8-7-15-9-18(28(33)29-19(15)10-16)17-11-24(32)35-23-13-21(31)26-20(30)12-22(36-27(26)25(17)23)14-5-3-2-4-6-14/h2-10,12-13,17,31H,11H2,1H3,(H,29,33)/t17-/m1/s1.
What are the key properties of (10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-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 (10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97424990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).