1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one

C24H20N2O5 — CID 46832688

IUPAC1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
SMILESCOc1ccc2c(n1)C1(CO2)C(=O)N(Cc2ccc3c(c2)OCCO3)c2ccccc21
InChIInChI=1S/C24H20N2O5/c1-28-21-9-8-19-22(25-21)24(14-31-19)16-4-2-3-5-17(16)26(23(24)27)13-15-6-7-18-20(12-15)30-11-10-29-18/h2-9,12H,10-11,13-14H2,1H3
InChIKeyXGUXDXBYIYBDBO-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.09
Rot. Bonds3

About 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one

1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one (PubChem CID 46832688) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
PubChem CID46832688
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
SMILESCOc1ccc2c(n1)C1(CO2)C(=O)N(Cc2ccc3c(c2)OCCO3)c2ccccc21
InChIInChI=1S/C24H20N2O5/c1-28-21-9-8-19-22(25-21)24(14-31-19)16-4-2-3-5-17(16)26(23(24)27)13-15-6-7-18-20(12-15)30-11-10-29-18/h2-9,12H,10-11,13-14H2,1H3
InChIKeyXGUXDXBYIYBDBO-UHFFFAOYSA-N
XLogP3.09
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
The IUPAC name of 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one (CID 46832688) is 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
The canonical SMILES for 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one is COc1ccc2c(n1)C1(CO2)C(=O)N(Cc2ccc3c(c2)OCCO3)c2ccccc21.
What is the InChIKey of 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
The InChIKey is XGUXDXBYIYBDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-28-21-9-8-19-22(25-21)24(14-31-19)16-4-2-3-5-17(16)26(23(24)27)13-15-6-7-18-20(12-15)30-11-10-29-18/h2-9,12H,10-11,13-14H2,1H3.
What are the key properties of 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one has a molecular weight of 416.43 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one is sourced from PubChem (CID 46832688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).