7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C26H28N2O2 — CID 11165510

IUPAC7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCCc1cccc2c(C3=CCN(CCc4coc5ccc(OC)cc45)CC3)c[nH]c12
InChIInChI=1S/C26H28N2O2/c1-3-18-5-4-6-22-24(16-27-26(18)22)19-9-12-28(13-10-19)14-11-20-17-30-25-8-7-21(29-2)15-23(20)25/h4-9,15-17,27H,3,10-14H2,1-2H3
InChIKeyNCOVTDFDEMEMLS-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.82
Rot. Bonds6

About 7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 11165510) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID11165510
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCCc1cccc2c(C3=CCN(CCc4coc5ccc(OC)cc45)CC3)c[nH]c12
InChIInChI=1S/C26H28N2O2/c1-3-18-5-4-6-22-24(16-27-26(18)22)19-9-12-28(13-10-19)14-11-20-17-30-25-8-7-21(29-2)15-23(20)25/h4-9,15-17,27H,3,10-14H2,1-2H3
InChIKeyNCOVTDFDEMEMLS-UHFFFAOYSA-N
XLogP5.82
TPSA41.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 11165510) is 7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is CCc1cccc2c(C3=CCN(CCc4coc5ccc(OC)cc45)CC3)c[nH]c12.
What is the InChIKey of 7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is NCOVTDFDEMEMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-3-18-5-4-6-22-24(16-27-26(18)22)19-9-12-28(13-10-19)14-11-20-17-30-25-8-7-21(29-2)15-23(20)25/h4-9,15-17,27H,3,10-14H2,1-2H3.
What are the key properties of 7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 400.52 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-[1-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 11165510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).