(6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine

C14H18FN3O — CID 113399828

IUPAC(6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine
SMILESCCCc1cc2cc(OCC)c(F)cc2nc1NN
InChIInChI=1S/C14H18FN3O/c1-3-5-9-6-10-7-13(19-4-2)11(15)8-12(10)17-14(9)18-16/h6-8H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyWVPVQFXUNRBCNL-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.01
Rot. Bonds5

About (6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine

(6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine (PubChem CID 113399828) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine.

Molecular Properties

Compound Name(6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine
PubChem CID113399828
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine
SMILESCCCc1cc2cc(OCC)c(F)cc2nc1NN
InChIInChI=1S/C14H18FN3O/c1-3-5-9-6-10-7-13(19-4-2)11(15)8-12(10)17-14(9)18-16/h6-8H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyWVPVQFXUNRBCNL-UHFFFAOYSA-N
XLogP3.01
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.01
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'}

Analyze (6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine?
The IUPAC name of (6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine (CID 113399828) is (6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine.
What is the SMILES notation for (6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine?
The canonical SMILES for (6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine is CCCc1cc2cc(OCC)c(F)cc2nc1NN.
What is the InChIKey of (6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine?
The InChIKey is WVPVQFXUNRBCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-5-9-6-10-7-13(19-4-2)11(15)8-12(10)17-14(9)18-16/h6-8H,3-5,16H2,1-2H3,(H,17,18).
What are the key properties of (6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine?
(6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine has a molecular weight of 263.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-7-fluoro-3-propylquinolin-2-yl)hydrazine is sourced from PubChem (CID 113399828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).