[5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine

C12H12F3N3O2 — CID 62251152

IUPAC[5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCOc1ccc(OC)c2c(NN)cc(C(F)(F)F)nc12
InChIInChI=1S/C12H12F3N3O2/c1-19-7-3-4-8(20-2)11-10(7)6(18-16)5-9(17-11)12(13,14)15/h3-5H,16H2,1-2H3,(H,17,18)
InChIKeyGQOXOIKSDJWOMR-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.56
Rot. Bonds3

About [5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine

[5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine (PubChem CID 62251152) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is [5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine
PubChem CID62251152
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name[5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCOc1ccc(OC)c2c(NN)cc(C(F)(F)F)nc12
InChIInChI=1S/C12H12F3N3O2/c1-19-7-3-4-8(20-2)11-10(7)6(18-16)5-9(17-11)12(13,14)15/h3-5H,16H2,1-2H3,(H,17,18)
InChIKeyGQOXOIKSDJWOMR-UHFFFAOYSA-N
XLogP2.56
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The IUPAC name of [5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine (CID 62251152) is [5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine.
What is the SMILES notation for [5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The canonical SMILES for [5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine is COc1ccc(OC)c2c(NN)cc(C(F)(F)F)nc12.
What is the InChIKey of [5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The InChIKey is GQOXOIKSDJWOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-19-7-3-4-8(20-2)11-10(7)6(18-16)5-9(17-11)12(13,14)15/h3-5H,16H2,1-2H3,(H,17,18).
What are the key properties of [5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
[5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine has a molecular weight of 287.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine is sourced from PubChem (CID 62251152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).