(8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine

C13H16BrN3 — CID 82758079

IUPAC(8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine
SMILESCCCc1cc(NN)c2c(C)ccc(Br)c2n1
InChIInChI=1S/C13H16BrN3/c1-3-4-9-7-11(17-15)12-8(2)5-6-10(14)13(12)16-9/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyJNWMXCURTCXKRH-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.54
Rot. Bonds3

About (8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine

(8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine (PubChem CID 82758079) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is (8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine
PubChem CID82758079
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name(8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine
SMILESCCCc1cc(NN)c2c(C)ccc(Br)c2n1
InChIInChI=1S/C13H16BrN3/c1-3-4-9-7-11(17-15)12-8(2)5-6-10(14)13(12)16-9/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyJNWMXCURTCXKRH-UHFFFAOYSA-N
XLogP3.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.54
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 (8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine?
The IUPAC name of (8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine (CID 82758079) is (8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine.
What is the SMILES notation for (8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine?
The canonical SMILES for (8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine is CCCc1cc(NN)c2c(C)ccc(Br)c2n1.
What is the InChIKey of (8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine?
The InChIKey is JNWMXCURTCXKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-3-4-9-7-11(17-15)12-8(2)5-6-10(14)13(12)16-9/h5-7H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of (8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine?
(8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine has a molecular weight of 294.20 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-5-methyl-2-propylquinolin-4-yl)hydrazine is sourced from PubChem (CID 82758079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).