3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C24H24N2O2 — CID 11280207

IUPAC3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1cccc2c(CCN3CC=C(c4c[nH]c5ccccc45)CC3)coc12
InChIInChI=1S/C24H24N2O2/c1-27-23-8-4-6-19-18(16-28-24(19)23)11-14-26-12-9-17(10-13-26)21-15-25-22-7-3-2-5-20(21)22/h2-9,15-16,25H,10-14H2,1H3
InChIKeyXQCLCGLKJFCJMT-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.25
Rot. Bonds5

About 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 11280207) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID11280207
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1cccc2c(CCN3CC=C(c4c[nH]c5ccccc45)CC3)coc12
InChIInChI=1S/C24H24N2O2/c1-27-23-8-4-6-19-18(16-28-24(19)23)11-14-26-12-9-17(10-13-26)21-15-25-22-7-3-2-5-20(21)22/h2-9,15-16,25H,10-14H2,1H3
InChIKeyXQCLCGLKJFCJMT-UHFFFAOYSA-N
XLogP5.25
TPSA41.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 11280207) is 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is COc1cccc2c(CCN3CC=C(c4c[nH]c5ccccc45)CC3)coc12.
What is the InChIKey of 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is XQCLCGLKJFCJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-27-23-8-4-6-19-18(16-28-24(19)23)11-14-26-12-9-17(10-13-26)21-15-25-22-7-3-2-5-20(21)22/h2-9,15-16,25H,10-14H2,1H3.
What are the key properties of 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 372.47 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(7-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 11280207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).