6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

C23H20N2O3 — CID 59352764

IUPAC6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1cc2c(cc1C)C1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C23H20N2O3/c1-15-11-18-21(12-20(15)27-2)28-14-23(18)17-8-3-4-9-19(17)25(22(23)26)13-16-7-5-6-10-24-16/h3-12H,13-14H2,1-2H3
InChIKeyWNMCSYFRPIGZTI-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.62
Rot. Bonds3

About 6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59352764) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59352764
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1cc2c(cc1C)C1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C23H20N2O3/c1-15-11-18-21(12-20(15)27-2)28-14-23(18)17-8-3-4-9-19(17)25(22(23)26)13-16-7-5-6-10-24-16/h3-12H,13-14H2,1-2H3
InChIKeyWNMCSYFRPIGZTI-UHFFFAOYSA-N
XLogP3.62
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59352764) is 6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is COc1cc2c(cc1C)C1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21.
What is the InChIKey of 6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is WNMCSYFRPIGZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-11-18-21(12-20(15)27-2)28-14-23(18)17-8-3-4-9-19(17)25(22(23)26)13-16-7-5-6-10-24-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 372.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).