2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine

C21H20N2O — CID 22951111

IUPAC2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc2c(CCN3CCc4oc5ccccc5c4C3)c[nH]c2c1
InChIInChI=1S/C21H20N2O/c1-3-7-19-16(5-1)15(13-22-19)9-11-23-12-10-21-18(14-23)17-6-2-4-8-20(17)24-21/h1-8,13,22H,9-12,14H2
InChIKeyQHZUVKXHAVBGPC-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.51
Rot. Bonds3

About 2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine

2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine (PubChem CID 22951111) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
PubChem CID22951111
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc2c(CCN3CCc4oc5ccccc5c4C3)c[nH]c2c1
InChIInChI=1S/C21H20N2O/c1-3-7-19-16(5-1)15(13-22-19)9-11-23-12-10-21-18(14-23)17-6-2-4-8-20(17)24-21/h1-8,13,22H,9-12,14H2
InChIKeyQHZUVKXHAVBGPC-UHFFFAOYSA-N
XLogP4.51
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine (CID 22951111) is 2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine is c1ccc2c(CCN3CCc4oc5ccccc5c4C3)c[nH]c2c1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The InChIKey is QHZUVKXHAVBGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-3-7-19-16(5-1)15(13-22-19)9-11-23-12-10-21-18(14-23)17-6-2-4-8-20(17)24-21/h1-8,13,22H,9-12,14H2.
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine has a molecular weight of 316.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 22951111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).