2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline

C20H22N4 — CID 72706476

IUPAC2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline
SMILESCc1nc2ccccc2nc1CCc1cccc(N2CCCC2)n1
InChIInChI=1S/C20H22N4/c1-15-17(23-19-9-3-2-8-18(19)21-15)12-11-16-7-6-10-20(22-16)24-13-4-5-14-24/h2-3,6-10H,4-5,11-14H2,1H3
InChIKeyZQTDDFZBFHWBQI-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.72
Rot. Bonds4

About 2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline

2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline (PubChem CID 72706476) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline.

Molecular Properties

Compound Name2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline
PubChem CID72706476
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline
SMILESCc1nc2ccccc2nc1CCc1cccc(N2CCCC2)n1
InChIInChI=1S/C20H22N4/c1-15-17(23-19-9-3-2-8-18(19)21-15)12-11-16-7-6-10-20(22-16)24-13-4-5-14-24/h2-3,6-10H,4-5,11-14H2,1H3
InChIKeyZQTDDFZBFHWBQI-UHFFFAOYSA-N
XLogP3.72
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline?
The IUPAC name of 2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline (CID 72706476) is 2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline.
What is the SMILES notation for 2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline?
The canonical SMILES for 2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline is Cc1nc2ccccc2nc1CCc1cccc(N2CCCC2)n1.
What is the InChIKey of 2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline?
The InChIKey is ZQTDDFZBFHWBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-17(23-19-9-3-2-8-18(19)21-15)12-11-16-7-6-10-20(22-16)24-13-4-5-14-24/h2-3,6-10H,4-5,11-14H2,1H3.
What are the key properties of 2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline?
2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline has a molecular weight of 318.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(6-pyrrolidin-1-yl-2-pyridinyl)ethyl]quinoxaline is sourced from PubChem (CID 72706476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).