2-[2-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline

C24H19N3O — CID 70114363

IUPAC2-[2-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline
SMILESCOc1cccc2ccc(CCc3ccc4ccc5cccnc5c4n3)nc12
InChIInChI=1S/C24H19N3O/c1-28-21-6-2-4-16-9-11-19(26-22(16)21)13-14-20-12-10-18-8-7-17-5-3-15-25-23(17)24(18)27-20/h2-12,15H,13-14H2,1H3
InChIKeyROSKHMAJTYNXBJ-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.12
Rot. Bonds4

About 2-[2-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline

2-[2-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline (PubChem CID 70114363) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[2-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[2-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline
PubChem CID70114363
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name2-[2-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline
SMILESCOc1cccc2ccc(CCc3ccc4ccc5cccnc5c4n3)nc12
InChIInChI=1S/C24H19N3O/c1-28-21-6-2-4-16-9-11-19(26-22(16)21)13-14-20-12-10-18-8-7-17-5-3-15-25-23(17)24(18)27-20/h2-12,15H,13-14H2,1H3
InChIKeyROSKHMAJTYNXBJ-UHFFFAOYSA-N
XLogP5.12
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.12
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-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline?
The IUPAC name of 2-[2-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline (CID 70114363) is 2-[2-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[2-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline?
The canonical SMILES for 2-[2-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline is COc1cccc2ccc(CCc3ccc4ccc5cccnc5c4n3)nc12.
What is the InChIKey of 2-[2-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline?
The InChIKey is ROSKHMAJTYNXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-28-21-6-2-4-16-9-11-19(26-22(16)21)13-14-20-12-10-18-8-7-17-5-3-15-25-23(17)24(18)27-20/h2-12,15H,13-14H2,1H3.
What are the key properties of 2-[2-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline?
2-[2-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline has a molecular weight of 365.44 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-methoxyquinolin-2-yl)ethyl]-1,10-phenanthroline is sourced from PubChem (CID 70114363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).