3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

C31H25NO6 — CID 75492565

IUPAC3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESCC(C)Cn1c(=O)c(C2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc2ccccc21
InChIInChI=1S/C31H25NO6/c1-17(2)15-32-25-6-4-3-5-19(25)13-23(31(32)36)22-14-27(34)38-26-12-11-21-29(35)24(16-37-30(21)28(22)26)18-7-9-20(33)10-8-18/h3-13,16-17,22,33H,14-15H2,1-2H3
InChIKeyBDYHXSNNBXKZDK-UHFFFAOYSA-N
MW507.54 g/mol
LogP5.58
Rot. Bonds4

About 3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (PubChem CID 75492565) has the molecular formula C31H25NO6 and a molecular weight of 507.54 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
PubChem CID75492565
Molecular FormulaC31H25NO6
Molecular Weight507.54 g/mol
Exact Mass507.17
IUPAC Name3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESCC(C)Cn1c(=O)c(C2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc2ccccc21
InChIInChI=1S/C31H25NO6/c1-17(2)15-32-25-6-4-3-5-19(25)13-23(31(32)36)22-14-27(34)38-26-12-11-21-29(35)24(16-37-30(21)28(22)26)18-7-9-20(33)10-8-18/h3-13,16-17,22,33H,14-15H2,1-2H3
InChIKeyBDYHXSNNBXKZDK-UHFFFAOYSA-N
XLogP5.58
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.54
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The IUPAC name of 3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (CID 75492565) is 3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.
What is the SMILES notation for 3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The canonical SMILES for 3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is CC(C)Cn1c(=O)c(C2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc2ccccc21.
What is the InChIKey of 3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The InChIKey is BDYHXSNNBXKZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NO6/c1-17(2)15-32-25-6-4-3-5-19(25)13-23(31(32)36)22-14-27(34)38-26-12-11-21-29(35)24(16-37-30(21)28(22)26)18-7-9-20(33)10-8-18/h3-13,16-17,22,33H,14-15H2,1-2H3.
What are the key properties of 3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione has a molecular weight of 507.54 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is sourced from PubChem (CID 75492565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).