[2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine

C12H13F2N3O2 — CID 62892113

IUPAC[2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine
SMILESCOc1ccc(OC)c2c(NN)cc(C(F)F)nc12
InChIInChI=1S/C12H13F2N3O2/c1-18-8-3-4-9(19-2)11-10(8)6(17-15)5-7(16-11)12(13)14/h3-5,12H,15H2,1-2H3,(H,16,17)
InChIKeyFJJRYAAQCQIZDE-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.48
Rot. Bonds4

About [2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine

[2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine (PubChem CID 62892113) has the molecular formula C12H13F2N3O2 and a molecular weight of 269.25 g/mol. Its IUPAC name is [2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine
PubChem CID62892113
Molecular FormulaC12H13F2N3O2
Molecular Weight269.25 g/mol
Exact Mass269.10
IUPAC Name[2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine
SMILESCOc1ccc(OC)c2c(NN)cc(C(F)F)nc12
InChIInChI=1S/C12H13F2N3O2/c1-18-8-3-4-9(19-2)11-10(8)6(17-15)5-7(16-11)12(13)14/h3-5,12H,15H2,1-2H3,(H,16,17)
InChIKeyFJJRYAAQCQIZDE-UHFFFAOYSA-N
XLogP2.48
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.48
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 [2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine?
The IUPAC name of [2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine (CID 62892113) is [2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine.
What is the SMILES notation for [2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine?
The canonical SMILES for [2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine is COc1ccc(OC)c2c(NN)cc(C(F)F)nc12.
What is the InChIKey of [2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine?
The InChIKey is FJJRYAAQCQIZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2/c1-18-8-3-4-9(19-2)11-10(8)6(17-15)5-7(16-11)12(13)14/h3-5,12H,15H2,1-2H3,(H,16,17).
What are the key properties of [2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine?
[2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine has a molecular weight of 269.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine is sourced from PubChem (CID 62892113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).