(5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine

C15H11BrFN3 — CID 63482610

IUPAC(5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine
SMILESNNc1cc(-c2ccccc2)nc2c(F)ccc(Br)c12
InChIInChI=1S/C15H11BrFN3/c16-10-6-7-11(17)15-14(10)13(20-18)8-12(19-15)9-4-2-1-3-5-9/h1-8H,18H2,(H,19,20)
InChIKeyBRESOUHQWGWAAB-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.09
Rot. Bonds2

About (5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine

(5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine (PubChem CID 63482610) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is (5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine
PubChem CID63482610
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name(5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine
SMILESNNc1cc(-c2ccccc2)nc2c(F)ccc(Br)c12
InChIInChI=1S/C15H11BrFN3/c16-10-6-7-11(17)15-14(10)13(20-18)8-12(19-15)9-4-2-1-3-5-9/h1-8H,18H2,(H,19,20)
InChIKeyBRESOUHQWGWAAB-UHFFFAOYSA-N
XLogP4.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine?
The IUPAC name of (5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine (CID 63482610) is (5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine.
What is the SMILES notation for (5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine?
The canonical SMILES for (5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine is NNc1cc(-c2ccccc2)nc2c(F)ccc(Br)c12.
What is the InChIKey of (5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine?
The InChIKey is BRESOUHQWGWAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c16-10-6-7-11(17)15-14(10)13(20-18)8-12(19-15)9-4-2-1-3-5-9/h1-8H,18H2,(H,19,20).
What are the key properties of (5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine?
(5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine has a molecular weight of 332.18 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-8-fluoro-2-phenylquinolin-4-yl)hydrazine is sourced from PubChem (CID 63482610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).