2-[2-(3H-indol-2-yl)ethyl]quinoxaline

C18H15N3 — CID 157294886

IUPAC2-[2-(3H-indol-2-yl)ethyl]quinoxaline
SMILESc1ccc2c(c1)CC(CCc1cnc3ccccc3n1)=N2
InChIInChI=1S/C18H15N3/c1-2-6-16-13(5-1)11-14(20-16)9-10-15-12-19-17-7-3-4-8-18(17)21-15/h1-8,12H,9-11H2
InChIKeyCMYJRXTWVLFWAD-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.89
Rot. Bonds3

About 2-[2-(3H-indol-2-yl)ethyl]quinoxaline

2-[2-(3H-indol-2-yl)ethyl]quinoxaline (PubChem CID 157294886) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[2-(3H-indol-2-yl)ethyl]quinoxaline.

Molecular Properties

Compound Name2-[2-(3H-indol-2-yl)ethyl]quinoxaline
PubChem CID157294886
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-[2-(3H-indol-2-yl)ethyl]quinoxaline
SMILESc1ccc2c(c1)CC(CCc1cnc3ccccc3n1)=N2
InChIInChI=1S/C18H15N3/c1-2-6-16-13(5-1)11-14(20-16)9-10-15-12-19-17-7-3-4-8-18(17)21-15/h1-8,12H,9-11H2
InChIKeyCMYJRXTWVLFWAD-UHFFFAOYSA-N
XLogP3.89
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3H-indol-2-yl)ethyl]quinoxaline?
The IUPAC name of 2-[2-(3H-indol-2-yl)ethyl]quinoxaline (CID 157294886) is 2-[2-(3H-indol-2-yl)ethyl]quinoxaline.
What is the SMILES notation for 2-[2-(3H-indol-2-yl)ethyl]quinoxaline?
The canonical SMILES for 2-[2-(3H-indol-2-yl)ethyl]quinoxaline is c1ccc2c(c1)CC(CCc1cnc3ccccc3n1)=N2.
What is the InChIKey of 2-[2-(3H-indol-2-yl)ethyl]quinoxaline?
The InChIKey is CMYJRXTWVLFWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-2-6-16-13(5-1)11-14(20-16)9-10-15-12-19-17-7-3-4-8-18(17)21-15/h1-8,12H,9-11H2.
What are the key properties of 2-[2-(3H-indol-2-yl)ethyl]quinoxaline?
2-[2-(3H-indol-2-yl)ethyl]quinoxaline has a molecular weight of 273.34 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3H-indol-2-yl)ethyl]quinoxaline is sourced from PubChem (CID 157294886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).