(5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine

C13H16FN3 — CID 62250056

IUPAC(5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine
SMILESCc1ccc(F)c2c(NN)cc(C(C)C)nc12
InChIInChI=1S/C13H16FN3/c1-7(2)10-6-11(17-15)12-9(14)5-4-8(3)13(12)16-10/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyBKDXDGIXEPIQAA-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.09
Rot. Bonds2

About (5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine

(5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine (PubChem CID 62250056) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is (5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine
PubChem CID62250056
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name(5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine
SMILESCc1ccc(F)c2c(NN)cc(C(C)C)nc12
InChIInChI=1S/C13H16FN3/c1-7(2)10-6-11(17-15)12-9(14)5-4-8(3)13(12)16-10/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyBKDXDGIXEPIQAA-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine?
The IUPAC name of (5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine (CID 62250056) is (5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine.
What is the SMILES notation for (5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine?
The canonical SMILES for (5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine is Cc1ccc(F)c2c(NN)cc(C(C)C)nc12.
What is the InChIKey of (5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine?
The InChIKey is BKDXDGIXEPIQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-7(2)10-6-11(17-15)12-9(14)5-4-8(3)13(12)16-10/h4-7H,15H2,1-3H3,(H,16,17).
What are the key properties of (5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine?
(5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine has a molecular weight of 233.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine is sourced from PubChem (CID 62250056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).