2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline

C20H21N3O2 — CID 51112418

IUPAC2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline
SMILESCOc1ccc(C2CCCN2c2cnc3ccccc3n2)c(OC)c1
InChIInChI=1S/C20H21N3O2/c1-24-14-9-10-15(19(12-14)25-2)18-8-5-11-23(18)20-13-21-16-6-3-4-7-17(16)22-20/h3-4,6-7,9-10,12-13,18H,5,8,11H2,1-2H3
InChIKeyLUAHXTMRASGZHV-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.99
Rot. Bonds4

About 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline

2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline (PubChem CID 51112418) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline
PubChem CID51112418
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline
SMILESCOc1ccc(C2CCCN2c2cnc3ccccc3n2)c(OC)c1
InChIInChI=1S/C20H21N3O2/c1-24-14-9-10-15(19(12-14)25-2)18-8-5-11-23(18)20-13-21-16-6-3-4-7-17(16)22-20/h3-4,6-7,9-10,12-13,18H,5,8,11H2,1-2H3
InChIKeyLUAHXTMRASGZHV-UHFFFAOYSA-N
XLogP3.99
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline?
The IUPAC name of 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline (CID 51112418) is 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline.
What is the SMILES notation for 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline?
The canonical SMILES for 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline is COc1ccc(C2CCCN2c2cnc3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline?
The InChIKey is LUAHXTMRASGZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-24-14-9-10-15(19(12-14)25-2)18-8-5-11-23(18)20-13-21-16-6-3-4-7-17(16)22-20/h3-4,6-7,9-10,12-13,18H,5,8,11H2,1-2H3.
What are the key properties of 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline?
2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline has a molecular weight of 335.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoxaline is sourced from PubChem (CID 51112418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).