[7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine

C11H11F2N3O — CID 62318480

IUPAC[7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine
SMILESCOCc1cc(NN)c2ccc(F)c(F)c2n1
InChIInChI=1S/C11H11F2N3O/c1-17-5-6-4-9(16-14)7-2-3-8(12)10(13)11(7)15-6/h2-4H,5,14H2,1H3,(H,15,16)
InChIKeyKWGUBDCRFXLXRP-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.95
Rot. Bonds3

About [7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine

[7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine (PubChem CID 62318480) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is [7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine
PubChem CID62318480
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name[7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine
SMILESCOCc1cc(NN)c2ccc(F)c(F)c2n1
InChIInChI=1S/C11H11F2N3O/c1-17-5-6-4-9(16-14)7-2-3-8(12)10(13)11(7)15-6/h2-4H,5,14H2,1H3,(H,15,16)
InChIKeyKWGUBDCRFXLXRP-UHFFFAOYSA-N
XLogP1.95
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine?
The IUPAC name of [7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine (CID 62318480) is [7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine.
What is the SMILES notation for [7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine?
The canonical SMILES for [7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine is COCc1cc(NN)c2ccc(F)c(F)c2n1.
What is the InChIKey of [7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine?
The InChIKey is KWGUBDCRFXLXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-17-5-6-4-9(16-14)7-2-3-8(12)10(13)11(7)15-6/h2-4H,5,14H2,1H3,(H,15,16).
What are the key properties of [7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine?
[7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine has a molecular weight of 239.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7,8-difluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine is sourced from PubChem (CID 62318480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).