(8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine

C12H13ClFN3 — CID 62250595

IUPAC(8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine
SMILESCC(C)c1cc(NN)c2cc(F)cc(Cl)c2n1
InChIInChI=1S/C12H13ClFN3/c1-6(2)10-5-11(17-15)8-3-7(14)4-9(13)12(8)16-10/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyRTBGHNPKLUSWSN-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.44
Rot. Bonds2

About (8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine

(8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine (PubChem CID 62250595) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is (8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine
PubChem CID62250595
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name(8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine
SMILESCC(C)c1cc(NN)c2cc(F)cc(Cl)c2n1
InChIInChI=1S/C12H13ClFN3/c1-6(2)10-5-11(17-15)8-3-7(14)4-9(13)12(8)16-10/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyRTBGHNPKLUSWSN-UHFFFAOYSA-N
XLogP3.44
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.44
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-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine?
The IUPAC name of (8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine (CID 62250595) is (8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine.
What is the SMILES notation for (8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine?
The canonical SMILES for (8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine is CC(C)c1cc(NN)c2cc(F)cc(Cl)c2n1.
What is the InChIKey of (8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine?
The InChIKey is RTBGHNPKLUSWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-6(2)10-5-11(17-15)8-3-7(14)4-9(13)12(8)16-10/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of (8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine?
(8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine has a molecular weight of 253.71 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine is sourced from PubChem (CID 62250595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).