1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

C23H18N2O5 — CID 59352459

IUPAC1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(=O)[nH]c2)c2ccccc2C12COc1cc3c(cc12)OCCO3
InChIInChI=1S/C23H18N2O5/c26-21-6-5-14(11-24-21)12-25-17-4-2-1-3-15(17)23(22(25)27)13-30-18-10-20-19(9-16(18)23)28-7-8-29-20/h1-6,9-11H,7-8,12-13H2,(H,24,26)
InChIKeyIQVBQXSKAMELQT-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.37
Rot. Bonds2

About 1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (PubChem CID 59352459) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is 1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
PubChem CID59352459
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC Name1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(=O)[nH]c2)c2ccccc2C12COc1cc3c(cc12)OCCO3
InChIInChI=1S/C23H18N2O5/c26-21-6-5-14(11-24-21)12-25-17-4-2-1-3-15(17)23(22(25)27)13-30-18-10-20-19(9-16(18)23)28-7-8-29-20/h1-6,9-11H,7-8,12-13H2,(H,24,26)
InChIKeyIQVBQXSKAMELQT-UHFFFAOYSA-N
XLogP2.37
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of 1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (CID 59352459) is 1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for 1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is O=C1N(Cc2ccc(=O)[nH]c2)c2ccccc2C12COc1cc3c(cc12)OCCO3.
What is the InChIKey of 1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is IQVBQXSKAMELQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5/c26-21-6-5-14(11-24-21)12-25-17-4-2-1-3-15(17)23(22(25)27)13-30-18-10-20-19(9-16(18)23)28-7-8-29-20/h1-6,9-11H,7-8,12-13H2,(H,24,26).
What are the key properties of 1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one has a molecular weight of 402.41 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 59352459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).