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

C24H20N2O5 — CID 59352703

IUPAC1'-methyl-4'-(pyridin-2-ylmethoxy)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(OCc3ccccn3)cccc21
InChIInChI=1S/C24H20N2O5/c1-26-17-6-4-7-18(30-13-15-5-2-3-8-25-15)22(17)24(23(26)27)14-31-19-12-21-20(11-16(19)24)28-9-10-29-21/h2-8,11-12H,9-10,13-14H2,1H3
InChIKeyADGAMNBMYAXMRS-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.09
Rot. Bonds3

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

1'-methyl-4'-(pyridin-2-ylmethoxy)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (PubChem CID 59352703) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is 1'-methyl-4'-(pyridin-2-ylmethoxy)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-methyl-4'-(pyridin-2-ylmethoxy)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
PubChem CID59352703
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name1'-methyl-4'-(pyridin-2-ylmethoxy)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(OCc3ccccn3)cccc21
InChIInChI=1S/C24H20N2O5/c1-26-17-6-4-7-18(30-13-15-5-2-3-8-25-15)22(17)24(23(26)27)14-31-19-12-21-20(11-16(19)24)28-9-10-29-21/h2-8,11-12H,9-10,13-14H2,1H3
InChIKeyADGAMNBMYAXMRS-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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Related Compounds

1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxyspiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
CID 46832688
1'-{[3-(trifluoromethyl)pyridin-2-yl]methyl}-2,3-dihydrospiro[furo[2,3-g][1,4]benzodioxine-8,3'-indol]-2'(1'H)-one
CID 51352119
US9260446, (II-S)
CID 51352120
6-methoxy-1'-(pyridin-2-ylmethyl)-2H-spiro[benzofuran-3,3'-indolin]-2'-one
CID 59352158
6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352252
5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352317
5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 134808881
6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 71577327
6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352764
US11028064, Example 23
CID 139462506
5,6,7-Trimethoxy-2-[1-(2-methoxy-4-methylbenzoyl)indol-3-yl]chromen-4-one
CID 172443679
5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
CID 134807927

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-4'-(pyridin-2-ylmethoxy)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of 1'-methyl-4'-(pyridin-2-ylmethoxy)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (CID 59352703) is 1'-methyl-4'-(pyridin-2-ylmethoxy)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.
What is the SMILES notation for 1'-methyl-4'-(pyridin-2-ylmethoxy)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for 1'-methyl-4'-(pyridin-2-ylmethoxy)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is CN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(OCc3ccccn3)cccc21.
What is the InChIKey of 1'-methyl-4'-(pyridin-2-ylmethoxy)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is ADGAMNBMYAXMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-26-17-6-4-7-18(30-13-15-5-2-3-8-25-15)22(17)24(23(26)27)14-31-19-12-21-20(11-16(19)24)28-9-10-29-21/h2-8,11-12H,9-10,13-14H2,1H3.
What are the key properties of 1'-methyl-4'-(pyridin-2-ylmethoxy)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
1'-methyl-4'-(pyridin-2-ylmethoxy)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-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'-methyl-4'-(pyridin-2-ylmethoxy)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 59352703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).