[5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine

C12H14FN3O — CID 62318479

IUPAC[5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine
SMILESCOCc1cc(NN)c2c(F)ccc(C)c2n1
InChIInChI=1S/C12H14FN3O/c1-7-3-4-9(13)11-10(16-14)5-8(6-17-2)15-12(7)11/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyAJLXGTAZEZSHFQ-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.11
Rot. Bonds3

About [5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine

[5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine (PubChem CID 62318479) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is [5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine
PubChem CID62318479
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name[5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine
SMILESCOCc1cc(NN)c2c(F)ccc(C)c2n1
InChIInChI=1S/C12H14FN3O/c1-7-3-4-9(13)11-10(16-14)5-8(6-17-2)15-12(7)11/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyAJLXGTAZEZSHFQ-UHFFFAOYSA-N
XLogP2.11
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.11
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 [5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine?
The IUPAC name of [5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine (CID 62318479) is [5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine.
What is the SMILES notation for [5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine?
The canonical SMILES for [5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine is COCc1cc(NN)c2c(F)ccc(C)c2n1.
What is the InChIKey of [5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine?
The InChIKey is AJLXGTAZEZSHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-7-3-4-9(13)11-10(16-14)5-8(6-17-2)15-12(7)11/h3-5H,6,14H2,1-2H3,(H,15,16).
What are the key properties of [5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine?
[5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine has a molecular weight of 235.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine is sourced from PubChem (CID 62318479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).