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

C23H17N3 — CID 70116349

IUPAC2-(2-quinolin-2-ylethyl)-1,10-phenanthroline
SMILESc1ccc2nc(CCc3ccc4ccc5cccnc5c4n3)ccc2c1
InChIInChI=1S/C23H17N3/c1-2-6-21-16(4-1)9-11-19(25-21)13-14-20-12-10-18-8-7-17-5-3-15-24-22(17)23(18)26-20/h1-12,15H,13-14H2
InChIKeyYOBXFIASESAAAR-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.12
Rot. Bonds3

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

2-(2-quinolin-2-ylethyl)-1,10-phenanthroline (PubChem CID 70116349) has the molecular formula C23H17N3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(2-quinolin-2-ylethyl)-1,10-phenanthroline
PubChem CID70116349
Molecular FormulaC23H17N3
Molecular Weight335.41 g/mol
Exact Mass335.14
IUPAC Name2-(2-quinolin-2-ylethyl)-1,10-phenanthroline
SMILESc1ccc2nc(CCc3ccc4ccc5cccnc5c4n3)ccc2c1
InChIInChI=1S/C23H17N3/c1-2-6-21-16(4-1)9-11-19(25-21)13-14-20-12-10-18-8-7-17-5-3-15-24-22(17)23(18)26-20/h1-12,15H,13-14H2
InChIKeyYOBXFIASESAAAR-UHFFFAOYSA-N
XLogP5.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-quinolin-2-ylethyl)-1,10-phenanthroline?
The IUPAC name of 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline (CID 70116349) is 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline.
What is the SMILES notation for 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline?
The canonical SMILES for 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline is c1ccc2nc(CCc3ccc4ccc5cccnc5c4n3)ccc2c1.
What is the InChIKey of 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline?
The InChIKey is YOBXFIASESAAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3/c1-2-6-21-16(4-1)9-11-19(25-21)13-14-20-12-10-18-8-7-17-5-3-15-24-22(17)23(18)26-20/h1-12,15H,13-14H2.
What are the key properties of 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline?
2-(2-quinolin-2-ylethyl)-1,10-phenanthroline has a molecular weight of 335.41 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline is sourced from PubChem (CID 70116349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).