[6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine

C22H24FN3O3 — CID 67091055

IUPAC[6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine
SMILESCOC1(c2cc(F)cc(OCc3ccc4nc(NN)ccc4c3)c2)CCOCC1
InChIInChI=1S/C22H24FN3O3/c1-27-22(6-8-28-9-7-22)17-11-18(23)13-19(12-17)29-14-15-2-4-20-16(10-15)3-5-21(25-20)26-24/h2-5,10-13H,6-9,14,24H2,1H3,(H,25,26)
InChIKeyCAWIINOLIMKBJH-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.89
Rot. Bonds6

About [6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine

[6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine (PubChem CID 67091055) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is [6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine.

Molecular Properties

Compound Name[6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine
PubChem CID67091055
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name[6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine
SMILESCOC1(c2cc(F)cc(OCc3ccc4nc(NN)ccc4c3)c2)CCOCC1
InChIInChI=1S/C22H24FN3O3/c1-27-22(6-8-28-9-7-22)17-11-18(23)13-19(12-17)29-14-15-2-4-20-16(10-15)3-5-21(25-20)26-24/h2-5,10-13H,6-9,14,24H2,1H3,(H,25,26)
InChIKeyCAWIINOLIMKBJH-UHFFFAOYSA-N
XLogP3.89
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine with MolForge

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Related Compounds

methyl 4-[3-fluoro-5-[(2-hydrazinylquinolin-6-yl)methoxy]phenyl]oxane-4-carboxylate
CID 67091141
7-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoline
CID 52935975
N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide
CID 70104515
6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinoxalin-2-one
CID 14985923
1-[3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole
CID 18920194
6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-3-methyl-1,3-benzothiazol-2-one
CID 14985922
2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole
CID 18920205
3-cyclobutyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-1-methylurea
CID 10275147
6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinolin-1-ium;methyl sulfate
CID 11005515
N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N-methylazocane-1-carboxamide
CID 10227917
1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-3-(2-methoxyethyl)-1-methyl-3-propan-2-ylurea
CID 70120567
4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane
CID 14985899

Frequently Asked Questions

What is the IUPAC name of [6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine?
The IUPAC name of [6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine (CID 67091055) is [6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine.
What is the SMILES notation for [6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine?
The canonical SMILES for [6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine is COC1(c2cc(F)cc(OCc3ccc4nc(NN)ccc4c3)c2)CCOCC1.
What is the InChIKey of [6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine?
The InChIKey is CAWIINOLIMKBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-27-22(6-8-28-9-7-22)17-11-18(23)13-19(12-17)29-14-15-2-4-20-16(10-15)3-5-21(25-20)26-24/h2-5,10-13H,6-9,14,24H2,1H3,(H,25,26).
What are the key properties of [6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine?
[6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine has a molecular weight of 397.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine is sourced from PubChem (CID 67091055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).