[3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

C14H16F3N3 — CID 63744933

IUPAC[3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCCCc1ccc2nc(C(F)(F)F)c(C)c(NN)c2c1
InChIInChI=1S/C14H16F3N3/c1-3-4-9-5-6-11-10(7-9)12(20-18)8(2)13(19-11)14(15,16)17/h5-7H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyPXPROYWESNVGRG-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.80
Rot. Bonds3

About [3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

[3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (PubChem CID 63744933) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is [3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
PubChem CID63744933
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name[3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCCCc1ccc2nc(C(F)(F)F)c(C)c(NN)c2c1
InChIInChI=1S/C14H16F3N3/c1-3-4-9-5-6-11-10(7-9)12(20-18)8(2)13(19-11)14(15,16)17/h5-7H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyPXPROYWESNVGRG-UHFFFAOYSA-N
XLogP3.80
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.80
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-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The IUPAC name of [3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (CID 63744933) is [3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.
What is the SMILES notation for [3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The canonical SMILES for [3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is CCCc1ccc2nc(C(F)(F)F)c(C)c(NN)c2c1.
What is the InChIKey of [3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The InChIKey is PXPROYWESNVGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-3-4-9-5-6-11-10(7-9)12(20-18)8(2)13(19-11)14(15,16)17/h5-7H,3-4,18H2,1-2H3,(H,19,20).
What are the key properties of [3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
[3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine has a molecular weight of 283.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is sourced from PubChem (CID 63744933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).