2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline

C22H16N4 — CID 70114529

IUPAC2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(CCc3cnc4ccccc4n3)nc12
InChIInChI=1S/C22H16N4/c1-2-6-20-19(5-1)24-14-18(25-20)12-11-17-10-9-16-8-7-15-4-3-13-23-21(15)22(16)26-17/h1-10,13-14H,11-12H2
InChIKeyWJCIGNIQXLBJTA-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.51
Rot. Bonds3

About 2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline

2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline (PubChem CID 70114529) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline
PubChem CID70114529
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC Name2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(CCc3cnc4ccccc4n3)nc12
InChIInChI=1S/C22H16N4/c1-2-6-20-19(5-1)24-14-18(25-20)12-11-17-10-9-16-8-7-15-4-3-13-23-21(15)22(16)26-17/h1-10,13-14H,11-12H2
InChIKeyWJCIGNIQXLBJTA-UHFFFAOYSA-N
XLogP4.51
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline?
The IUPAC name of 2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline (CID 70114529) is 2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline.
What is the SMILES notation for 2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline?
The canonical SMILES for 2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline is c1cnc2c(c1)ccc1ccc(CCc3cnc4ccccc4n3)nc12.
What is the InChIKey of 2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline?
The InChIKey is WJCIGNIQXLBJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4/c1-2-6-20-19(5-1)24-14-18(25-20)12-11-17-10-9-16-8-7-15-4-3-13-23-21(15)22(16)26-17/h1-10,13-14H,11-12H2.
What are the key properties of 2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline?
2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline has a molecular weight of 336.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinoxalin-2-ylethyl)-1,10-phenanthroline is sourced from PubChem (CID 70114529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).