6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline

C24H25N3O — CID 52944384

IUPAC6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline
SMILESCc1ccc2nc(OCCC3CCCN3C)c(C#Cc3ccccc3)nc2c1
InChIInChI=1S/C24H25N3O/c1-18-10-12-21-23(17-18)25-22(13-11-19-7-4-3-5-8-19)24(26-21)28-16-14-20-9-6-15-27(20)2/h3-5,7-8,10,12,17,20H,6,9,14-16H2,1-2H3
InChIKeyAMTQJBJFUHRKKU-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.20
Rot. Bonds4

About 6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline

6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline (PubChem CID 52944384) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline.

Molecular Properties

Compound Name6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline
PubChem CID52944384
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline
SMILESCc1ccc2nc(OCCC3CCCN3C)c(C#Cc3ccccc3)nc2c1
InChIInChI=1S/C24H25N3O/c1-18-10-12-21-23(17-18)25-22(13-11-19-7-4-3-5-8-19)24(26-21)28-16-14-20-9-6-15-27(20)2/h3-5,7-8,10,12,17,20H,6,9,14-16H2,1-2H3
InChIKeyAMTQJBJFUHRKKU-UHFFFAOYSA-N
XLogP4.20
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline?
The IUPAC name of 6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline (CID 52944384) is 6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline.
What is the SMILES notation for 6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline?
The canonical SMILES for 6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline is Cc1ccc2nc(OCCC3CCCN3C)c(C#Cc3ccccc3)nc2c1.
What is the InChIKey of 6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline?
The InChIKey is AMTQJBJFUHRKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-18-10-12-21-23(17-18)25-22(13-11-19-7-4-3-5-8-19)24(26-21)28-16-14-20-9-6-15-27(20)2/h3-5,7-8,10,12,17,20H,6,9,14-16H2,1-2H3.
What are the key properties of 6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline?
6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline has a molecular weight of 371.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-(2-phenylethynyl)quinoxaline is sourced from PubChem (CID 52944384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).