6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline

C21H15BrN2O — CID 58387598

IUPAC6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline
SMILESBrc1cccc(-c2ccc3nccc(OCc4ccccc4)c3c2)n1
InChIInChI=1S/C21H15BrN2O/c22-21-8-4-7-18(24-21)16-9-10-19-17(13-16)20(11-12-23-19)25-14-15-5-2-1-3-6-15/h1-13H,14H2
InChIKeyZIYSPUWKXSKXFT-UHFFFAOYSA-N
MW391.27 g/mol
LogP5.64
Rot. Bonds4

About 6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline

6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline (PubChem CID 58387598) has the molecular formula C21H15BrN2O and a molecular weight of 391.27 g/mol. Its IUPAC name is 6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline.

Molecular Properties

Compound Name6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline
PubChem CID58387598
Molecular FormulaC21H15BrN2O
Molecular Weight391.27 g/mol
Exact Mass390.04
IUPAC Name6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline
SMILESBrc1cccc(-c2ccc3nccc(OCc4ccccc4)c3c2)n1
InChIInChI=1S/C21H15BrN2O/c22-21-8-4-7-18(24-21)16-9-10-19-17(13-16)20(11-12-23-19)25-14-15-5-2-1-3-6-15/h1-13H,14H2
InChIKeyZIYSPUWKXSKXFT-UHFFFAOYSA-N
XLogP5.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.27
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[6-(4-phenylmethoxyquinolin-6-yl)-2-pyridinyl]-1,3-thiazole
CID 58387591
6-fluoro-4-phenylmethoxyquinoline
CID 164587586
4-phenylmethoxyquinoline
CID 11299312
6-(azidomethyl)-4-phenylmethoxyquinoline
CID 86003622
4,7-bis(phenylmethoxy)-1,10-phenanthroline
CID 23134911
2-bromo-6-(2-fluoro-4-pyridinyl)pyridine
CID 71480002
4-hydroxy-N-[(4-phenylmethoxyquinolin-6-yl)methyl]benzamide
CID 11749432
2-phenyl-4-phenylmethoxyquinoline
CID 14954067
6-(4-fluorophenyl)-4-phenylmethoxyquinazoline
CID 24958786
6-bromo-8-methoxy-4-phenylmethoxyquinoline
CID 178032922
6-phenylmethoxyquinolin-5-amine
CID 43809775
6-bromo-4-(1H-imidazol-5-ylmethoxy)quinoline
CID 67476143

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline?
The IUPAC name of 6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline (CID 58387598) is 6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline.
What is the SMILES notation for 6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline?
The canonical SMILES for 6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline is Brc1cccc(-c2ccc3nccc(OCc4ccccc4)c3c2)n1.
What is the InChIKey of 6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline?
The InChIKey is ZIYSPUWKXSKXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2O/c22-21-8-4-7-18(24-21)16-9-10-19-17(13-16)20(11-12-23-19)25-14-15-5-2-1-3-6-15/h1-13H,14H2.
What are the key properties of 6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline?
6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline has a molecular weight of 391.27 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromo-2-pyridinyl)-4-phenylmethoxyquinoline is sourced from PubChem (CID 58387598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).