8-bromo-2-diphenylphosphorylquinoline

C21H15BrNOP — CID 155932211

IUPAC8-bromo-2-diphenylphosphorylquinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2cccc(Br)c2n1
InChIInChI=1S/C21H15BrNOP/c22-19-13-7-8-16-14-15-20(23-21(16)19)25(24,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15H
InChIKeyFUYMWXSVOJWWRT-UHFFFAOYSA-N
MW408.24 g/mol
LogP4.64
Rot. Bonds3

About 8-bromo-2-diphenylphosphorylquinoline

8-bromo-2-diphenylphosphorylquinoline (PubChem CID 155932211) has the molecular formula C21H15BrNOP and a molecular weight of 408.24 g/mol. Its IUPAC name is 8-bromo-2-diphenylphosphorylquinoline.

Molecular Properties

Compound Name8-bromo-2-diphenylphosphorylquinoline
PubChem CID155932211
Molecular FormulaC21H15BrNOP
Molecular Weight408.24 g/mol
Exact Mass407.01
IUPAC Name8-bromo-2-diphenylphosphorylquinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2cccc(Br)c2n1
InChIInChI=1S/C21H15BrNOP/c22-19-13-7-8-16-14-15-20(23-21(16)19)25(24,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15H
InChIKeyFUYMWXSVOJWWRT-UHFFFAOYSA-N
XLogP4.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-diphenylphosphorylquinoline?
The IUPAC name of 8-bromo-2-diphenylphosphorylquinoline (CID 155932211) is 8-bromo-2-diphenylphosphorylquinoline.
What is the SMILES notation for 8-bromo-2-diphenylphosphorylquinoline?
The canonical SMILES for 8-bromo-2-diphenylphosphorylquinoline is O=P(c1ccccc1)(c1ccccc1)c1ccc2cccc(Br)c2n1.
What is the InChIKey of 8-bromo-2-diphenylphosphorylquinoline?
The InChIKey is FUYMWXSVOJWWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrNOP/c22-19-13-7-8-16-14-15-20(23-21(16)19)25(24,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15H.
What are the key properties of 8-bromo-2-diphenylphosphorylquinoline?
8-bromo-2-diphenylphosphorylquinoline has a molecular weight of 408.24 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-diphenylphosphorylquinoline is sourced from PubChem (CID 155932211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).