(2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine

C13H16FN3 — CID 103996238

IUPAC(2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine
SMILESCCc1nc2cc(F)c(C)cc2c(NN)c1C
InChIInChI=1S/C13H16FN3/c1-4-11-8(3)13(17-15)9-5-7(2)10(14)6-12(9)16-11/h5-6H,4,15H2,1-3H3,(H,16,17)
InChIKeyYXJFARNLLIXNLG-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.84
Rot. Bonds2

About (2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine

(2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine (PubChem CID 103996238) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is (2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine
PubChem CID103996238
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name(2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine
SMILESCCc1nc2cc(F)c(C)cc2c(NN)c1C
InChIInChI=1S/C13H16FN3/c1-4-11-8(3)13(17-15)9-5-7(2)10(14)6-12(9)16-11/h5-6H,4,15H2,1-3H3,(H,16,17)
InChIKeyYXJFARNLLIXNLG-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 (2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine?
The IUPAC name of (2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine (CID 103996238) is (2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine.
What is the SMILES notation for (2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine?
The canonical SMILES for (2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine is CCc1nc2cc(F)c(C)cc2c(NN)c1C.
What is the InChIKey of (2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine?
The InChIKey is YXJFARNLLIXNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-4-11-8(3)13(17-15)9-5-7(2)10(14)6-12(9)16-11/h5-6H,4,15H2,1-3H3,(H,16,17).
What are the key properties of (2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine?
(2-ethyl-7-fluoro-3,6-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 (2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine is sourced from PubChem (CID 103996238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).