2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline

C20H21N3O — CID 50764074

IUPAC2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline
SMILESCc1cc(C)cc(Oc2nc3ccccc3nc2N2CCCC2)c1
InChIInChI=1S/C20H21N3O/c1-14-11-15(2)13-16(12-14)24-20-19(23-9-5-6-10-23)21-17-7-3-4-8-18(17)22-20/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3
InChIKeyDRSZFMHUQBTRBE-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.64
Rot. Bonds3

About 2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline

2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline (PubChem CID 50764074) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline
PubChem CID50764074
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline
SMILESCc1cc(C)cc(Oc2nc3ccccc3nc2N2CCCC2)c1
InChIInChI=1S/C20H21N3O/c1-14-11-15(2)13-16(12-14)24-20-19(23-9-5-6-10-23)21-17-7-3-4-8-18(17)22-20/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3
InChIKeyDRSZFMHUQBTRBE-UHFFFAOYSA-N
XLogP4.64
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline?
The IUPAC name of 2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline (CID 50764074) is 2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline is Cc1cc(C)cc(Oc2nc3ccccc3nc2N2CCCC2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline?
The InChIKey is DRSZFMHUQBTRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-11-15(2)13-16(12-14)24-20-19(23-9-5-6-10-23)21-17-7-3-4-8-18(17)22-20/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline?
2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline has a molecular weight of 319.41 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylquinoxaline is sourced from PubChem (CID 50764074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).