6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

C24H22N2O4 — CID 59352252

IUPAC6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOCCOc1ccc2c(c1)OCC21C(=O)N(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C24H22N2O4/c1-28-12-13-29-18-9-10-20-22(14-18)30-16-24(20)19-7-2-3-8-21(19)26(23(24)27)15-17-6-4-5-11-25-17/h2-11,14H,12-13,15-16H2,1H3
InChIKeyCQICVTJXLHGNMJ-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.33
Rot. Bonds6

About 6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59352252) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59352252
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOCCOc1ccc2c(c1)OCC21C(=O)N(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C24H22N2O4/c1-28-12-13-29-18-9-10-20-22(14-18)30-16-24(20)19-7-2-3-8-21(19)26(23(24)27)15-17-6-4-5-11-25-17/h2-11,14H,12-13,15-16H2,1H3
InChIKeyCQICVTJXLHGNMJ-UHFFFAOYSA-N
XLogP3.33
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1'-(pyridin-2-ylmethyl)spiro[furo[3,2-b]pyridine-3,3'-indol]-2'(1'H)-one
CID 25065329
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
5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352142
6-methoxy-1'-(pyridin-2-ylmethyl)-2H-spiro[benzofuran-3,3'-indolin]-2'-one
CID 59352158
5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352254
5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352317
5-methoxy-1'-[(2R)-tetrahydrofuran-2-ylmethyl]spiro[furo[2,3-c]pyridine-3,3'-indol]-2'(1'H)-one
CID 67461417
5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one
CID 68710093
6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 71577327
5-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one
CID 76320377
5-methoxy-1'-[[3-(trifluoromethyl)pyridin-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
CID 46833288

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59352252) is 6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is COCCOc1ccc2c(c1)OCC21C(=O)N(Cc2ccccn2)c2ccccc21.
What is the InChIKey of 6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is CQICVTJXLHGNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-28-12-13-29-18-9-10-20-22(14-18)30-16-24(20)19-7-2-3-8-21(19)26(23(24)27)15-17-6-4-5-11-25-17/h2-11,14H,12-13,15-16H2,1H3.
What are the key properties of 6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 402.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).