2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole

C21H16N2O2 — CID 58164156

IUPAC2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole
SMILESc1ccc2c(c1)OC[C@@H](C1=Nc3cc(-c4ccncc4)ccc3C1)O2
InChIInChI=1S/C21H16N2O2/c1-2-4-20-19(3-1)24-13-21(25-20)18-12-16-6-5-15(11-17(16)23-18)14-7-9-22-10-8-14/h1-11,21H,12-13H2/t21-/m0/s1
InChIKeyXFGFYQXQJKOSNA-NRFANRHFSA-N
MW328.37 g/mol
LogP4.22
Rot. Bonds2

About 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole

2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole (PubChem CID 58164156) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole.

Molecular Properties

Compound Name2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole
PubChem CID58164156
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole
SMILESc1ccc2c(c1)OC[C@@H](C1=Nc3cc(-c4ccncc4)ccc3C1)O2
InChIInChI=1S/C21H16N2O2/c1-2-4-20-19(3-1)24-13-21(25-20)18-12-16-6-5-15(11-17(16)23-18)14-7-9-22-10-8-14/h1-11,21H,12-13H2/t21-/m0/s1
InChIKeyXFGFYQXQJKOSNA-NRFANRHFSA-N
XLogP4.22
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole 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 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole?
The IUPAC name of 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole (CID 58164156) is 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole.
What is the SMILES notation for 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole?
The canonical SMILES for 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole is c1ccc2c(c1)OC[C@@H](C1=Nc3cc(-c4ccncc4)ccc3C1)O2.
What is the InChIKey of 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole?
The InChIKey is XFGFYQXQJKOSNA-NRFANRHFSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-2-4-20-19(3-1)24-13-21(25-20)18-12-16-6-5-15(11-17(16)23-18)14-7-9-22-10-8-14/h1-11,21H,12-13H2/t21-/m0/s1.
What are the key properties of 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole?
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole has a molecular weight of 328.37 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole is sourced from PubChem (CID 58164156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).