N,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine

C20H19N3O — CID 44513485

IUPACN,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine
SMILESCN(C)CCOc1nc2ccccc2nc1C#Cc1ccccc1
InChIInChI=1S/C20H19N3O/c1-23(2)14-15-24-20-19(13-12-16-8-4-3-5-9-16)21-17-10-6-7-11-18(17)22-20/h3-11H,14-15H2,1-2H3
InChIKeyTZNZJKNJGSOWPM-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.97
Rot. Bonds4

About N,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine

N,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine (PubChem CID 44513485) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine
PubChem CID44513485
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine
SMILESCN(C)CCOc1nc2ccccc2nc1C#Cc1ccccc1
InChIInChI=1S/C20H19N3O/c1-23(2)14-15-24-20-19(13-12-16-8-4-3-5-9-16)21-17-10-6-7-11-18(17)22-20/h3-11H,14-15H2,1-2H3
InChIKeyTZNZJKNJGSOWPM-UHFFFAOYSA-N
XLogP2.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.97
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 N,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine (CID 44513485) is N,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine is CN(C)CCOc1nc2ccccc2nc1C#Cc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine?
The InChIKey is TZNZJKNJGSOWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-23(2)14-15-24-20-19(13-12-16-8-4-3-5-9-16)21-17-10-6-7-11-18(17)22-20/h3-11H,14-15H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine?
N,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine has a molecular weight of 317.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(2-phenylethynyl)quinoxalin-2-yl]oxyethanamine is sourced from PubChem (CID 44513485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).