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

C22H18N2O3 — CID 59352158

IUPAC6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)OCC21C(=O)N(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C22H18N2O3/c1-26-16-9-10-18-20(12-16)27-14-22(18)17-7-2-3-8-19(17)24(21(22)25)13-15-6-4-5-11-23-15/h2-12H,13-14H2,1H3
InChIKeyQRUWQQJWZOBGEN-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.32
Rot. Bonds3

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

6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59352158) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59352158
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)OCC21C(=O)N(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C22H18N2O3/c1-26-16-9-10-18-20(12-16)27-14-22(18)17-7-2-3-8-19(17)24(21(22)25)13-15-6-4-5-11-23-15/h2-12H,13-14H2,1H3
InChIKeyQRUWQQJWZOBGEN-UHFFFAOYSA-N
XLogP3.32
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxybenzyl)-2-(1-methyl-1H-indol-3-yl)acetamide
CID 4523542
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-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352252
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
5-(2,6-Dimethoxyphenyl)-3-methyl-1-(3-(pyridin-2-yl)benzyl)pyrrolidin-2-one
CID 69082504
5-(2,6-Dimethoxyphenyl)-1-((2-phenylpyridin-4-yl)methyl)pyrrolidin-2-one
CID 69082781

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59352158) is 6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is COc1ccc2c(c1)OCC21C(=O)N(Cc2ccccn2)c2ccccc21.
What is the InChIKey of 6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is QRUWQQJWZOBGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-26-16-9-10-18-20(12-16)27-14-22(18)17-7-2-3-8-19(17)24(21(22)25)13-15-6-4-5-11-23-15/h2-12H,13-14H2,1H3.
What are the key properties of 6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 358.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).