(10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C29H21NO7 — CID 125122445

IUPAC(10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2ccc3ncccc3c2)cc1OC
InChIInChI=1S/C29H21NO7/c1-34-22-8-6-16(11-23(22)35-2)19-14-36-29-26-18(15-5-7-20-17(10-15)4-3-9-30-20)12-25(32)37-24(26)13-21(31)27(29)28(19)33/h3-11,13-14,18,31H,12H2,1-2H3/t18-/m1/s1
InChIKeyJVTQXRAZPBJQKO-GOSISDBHSA-N
MW495.49 g/mol
LogP5.17
Rot. Bonds4

About (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 125122445) has the molecular formula C29H21NO7 and a molecular weight of 495.49 g/mol. Its IUPAC name is (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID125122445
Molecular FormulaC29H21NO7
Molecular Weight495.49 g/mol
Exact Mass495.13
IUPAC Name(10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2ccc3ncccc3c2)cc1OC
InChIInChI=1S/C29H21NO7/c1-34-22-8-6-16(11-23(22)35-2)19-14-36-29-26-18(15-5-7-20-17(10-15)4-3-9-30-20)12-25(32)37-24(26)13-21(31)27(29)28(19)33/h3-11,13-14,18,31H,12H2,1-2H3/t18-/m1/s1
InChIKeyJVTQXRAZPBJQKO-GOSISDBHSA-N
XLogP5.17
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125123173
(10R)-10-(3,4-dimethoxyphenyl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045645
(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045635
methyl 2-[5-[(10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]-2-methoxyphenoxy]acetate
CID 125122517
(10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125123138
(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99994284
(10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-[4-(2-methylpropoxy)phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125123298
(10S)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424618
methyl 2-[4-[(10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetate
CID 125427674
(10S)-5-hydroxy-3-(4-hydroxyphenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424518
2-[4-[5-hydroxy-3-(4-methoxyphenyl)-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]-2-methoxyphenoxy]acetic acid
CID 71755285
2-[4-[(10R)-5-hydroxy-3-(4-methoxyphenyl)-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]-2-methoxyphenoxy]acetic acid
CID 97046125

Frequently Asked Questions

What is the IUPAC name of (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 125122445) is (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2ccc3ncccc3c2)cc1OC.
What is the InChIKey of (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is JVTQXRAZPBJQKO-GOSISDBHSA-N. The full InChI is InChI=1S/C29H21NO7/c1-34-22-8-6-16(11-23(22)35-2)19-14-36-29-26-18(15-5-7-20-17(10-15)4-3-9-30-20)12-25(32)37-24(26)13-21(31)27(29)28(19)33/h3-11,13-14,18,31H,12H2,1-2H3/t18-/m1/s1.
What are the key properties of (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 495.49 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 125122445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).