6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione

C24H19NO7 — CID 163355821

IUPAC6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
SMILESCOc1ccc2cc(C3CC(=O)Oc4c(O)cc5c(C)cc(=O)oc5c43)c(=O)n(C)c2c1
InChIInChI=1S/C24H19NO7/c1-11-6-19(27)31-22-14(11)9-18(26)23-21(22)15(10-20(28)32-23)16-7-12-4-5-13(30-3)8-17(12)25(2)24(16)29/h4-9,15,26H,10H2,1-3H3
InChIKeyFQMYZWGONAJSHR-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.11
Rot. Bonds2

About 6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione

6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione (PubChem CID 163355821) has the molecular formula C24H19NO7 and a molecular weight of 433.42 g/mol. Its IUPAC name is 6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione.

Molecular Properties

Compound Name6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
PubChem CID163355821
Molecular FormulaC24H19NO7
Molecular Weight433.42 g/mol
Exact Mass433.12
IUPAC Name6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
SMILESCOc1ccc2cc(C3CC(=O)Oc4c(O)cc5c(C)cc(=O)oc5c43)c(=O)n(C)c2c1
InChIInChI=1S/C24H19NO7/c1-11-6-19(27)31-22-14(11)9-18(26)23-21(22)15(10-20(28)32-23)16-7-12-4-5-13(30-3)8-17(12)25(2)24(16)29/h4-9,15,26H,10H2,1-3H3
InChIKeyFQMYZWGONAJSHR-UHFFFAOYSA-N
XLogP3.11
TPSA107.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 163355823
(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
9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 91636917
(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
10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 171038297
6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
CID 102564845
(4S,20S)-22-methoxy-20-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-3,17-dioxatricyclo[12.8.0.016,21]docosa-1(22),12,14,16(21)-tetraene-2,8,18-trione
CID 96544289
(10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97488578
(10R)-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97046015
4-hydroxy-8,9-dimethoxy-6-methylpyrano[3,2-c]quinoline-2,5-dione
CID 54705973
(10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
CID 99985297
(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 6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
The IUPAC name of 6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione (CID 163355821) is 6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione.
What is the SMILES notation for 6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
The canonical SMILES for 6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione is COc1ccc2cc(C3CC(=O)Oc4c(O)cc5c(C)cc(=O)oc5c43)c(=O)n(C)c2c1.
What is the InChIKey of 6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
The InChIKey is FQMYZWGONAJSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO7/c1-11-6-19(27)31-22-14(11)9-18(26)23-21(22)15(10-20(28)32-23)16-7-12-4-5-13(30-3)8-17(12)25(2)24(16)29/h4-9,15,26H,10H2,1-3H3.
What are the key properties of 6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione has a molecular weight of 433.42 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione is sourced from PubChem (CID 163355821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).