(3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine

C13H16FN3 — CID 79046124

IUPAC(3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine
SMILESCCc1c(C)nc2cc(F)cc(C)c2c1NN
InChIInChI=1S/C13H16FN3/c1-4-10-8(3)16-11-6-9(14)5-7(2)12(11)13(10)17-15/h5-6H,4,15H2,1-3H3,(H,16,17)
InChIKeyZZZKCZPGZOHHEU-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.84
Rot. Bonds2

About (3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine

(3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine (PubChem CID 79046124) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is (3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine
PubChem CID79046124
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name(3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine
SMILESCCc1c(C)nc2cc(F)cc(C)c2c1NN
InChIInChI=1S/C13H16FN3/c1-4-10-8(3)16-11-6-9(14)5-7(2)12(11)13(10)17-15/h5-6H,4,15H2,1-3H3,(H,16,17)
InChIKeyZZZKCZPGZOHHEU-UHFFFAOYSA-N
XLogP2.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.84
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 (3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine?
The IUPAC name of (3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine (CID 79046124) is (3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine.
What is the SMILES notation for (3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine?
The canonical SMILES for (3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine is CCc1c(C)nc2cc(F)cc(C)c2c1NN.
What is the InChIKey of (3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine?
The InChIKey is ZZZKCZPGZOHHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-4-10-8(3)16-11-6-9(14)5-7(2)12(11)13(10)17-15/h5-6H,4,15H2,1-3H3,(H,16,17).
What are the key properties of (3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine?
(3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine has a molecular weight of 233.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine is sourced from PubChem (CID 79046124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).