[6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

C12H11ClF3N3 — CID 63742394

IUPAC[6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCc1c(C(F)(F)F)nc2c(C)cc(Cl)cc2c1NN
InChIInChI=1S/C12H11ClF3N3/c1-5-3-7(13)4-8-9(5)18-11(12(14,15)16)6(2)10(8)19-17/h3-4H,17H2,1-2H3,(H,18,19)
InChIKeyJLAVKQIJAORLHH-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.81
Rot. Bonds1

About [6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

[6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (PubChem CID 63742394) has the molecular formula C12H11ClF3N3 and a molecular weight of 289.69 g/mol. Its IUPAC name is [6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
PubChem CID63742394
Molecular FormulaC12H11ClF3N3
Molecular Weight289.69 g/mol
Exact Mass289.06
IUPAC Name[6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCc1c(C(F)(F)F)nc2c(C)cc(Cl)cc2c1NN
InChIInChI=1S/C12H11ClF3N3/c1-5-3-7(13)4-8-9(5)18-11(12(14,15)16)6(2)10(8)19-17/h3-4H,17H2,1-2H3,(H,18,19)
InChIKeyJLAVKQIJAORLHH-UHFFFAOYSA-N
XLogP3.81
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.81
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 [6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The IUPAC name of [6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (CID 63742394) is [6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.
What is the SMILES notation for [6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The canonical SMILES for [6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is Cc1c(C(F)(F)F)nc2c(C)cc(Cl)cc2c1NN.
What is the InChIKey of [6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The InChIKey is JLAVKQIJAORLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3/c1-5-3-7(13)4-8-9(5)18-11(12(14,15)16)6(2)10(8)19-17/h3-4H,17H2,1-2H3,(H,18,19).
What are the key properties of [6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
[6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine has a molecular weight of 289.69 g/mol, XLogP of 3.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is sourced from PubChem (CID 63742394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).