[3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

C13H14F3N3 — CID 55229164

IUPAC[3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCc1ccc2c(NN)c(C)c(C(F)(F)F)nc2c1C
InChIInChI=1S/C13H14F3N3/c1-6-4-5-9-10(7(6)2)18-12(13(14,15)16)8(3)11(9)19-17/h4-5H,17H2,1-3H3,(H,18,19)
InChIKeyDQNPEYANVQDWJC-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.46
Rot. Bonds1

About [3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

[3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (PubChem CID 55229164) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is [3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
PubChem CID55229164
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name[3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCc1ccc2c(NN)c(C)c(C(F)(F)F)nc2c1C
InChIInChI=1S/C13H14F3N3/c1-6-4-5-9-10(7(6)2)18-12(13(14,15)16)8(3)11(9)19-17/h4-5H,17H2,1-3H3,(H,18,19)
InChIKeyDQNPEYANVQDWJC-UHFFFAOYSA-N
XLogP3.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.46
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 [3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The IUPAC name of [3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (CID 55229164) is [3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.
What is the SMILES notation for [3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The canonical SMILES for [3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is Cc1ccc2c(NN)c(C)c(C(F)(F)F)nc2c1C.
What is the InChIKey of [3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The InChIKey is DQNPEYANVQDWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-6-4-5-9-10(7(6)2)18-12(13(14,15)16)8(3)11(9)19-17/h4-5H,17H2,1-3H3,(H,18,19).
What are the key properties of [3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
[3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine has a molecular weight of 269.27 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is sourced from PubChem (CID 55229164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).