[(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine

C17H16FN3 — CID 105204150

IUPAC[(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
SMILESCc1cc(C(NN)c2cccc3cnccc23)ccc1F
InChIInChI=1S/C17H16FN3/c1-11-9-12(5-6-16(11)18)17(21-19)15-4-2-3-13-10-20-8-7-14(13)15/h2-10,17,21H,19H2,1H3
InChIKeyBBJUXBHGYPWJJK-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.24
Rot. Bonds3

About [(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine

[(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine (PubChem CID 105204150) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is [(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
PubChem CID105204150
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name[(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
SMILESCc1cc(C(NN)c2cccc3cnccc23)ccc1F
InChIInChI=1S/C17H16FN3/c1-11-9-12(5-6-16(11)18)17(21-19)15-4-2-3-13-10-20-8-7-14(13)15/h2-10,17,21H,19H2,1H3
InChIKeyBBJUXBHGYPWJJK-UHFFFAOYSA-N
XLogP3.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303015
[(5-bromo-2-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105280719
[isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105303091
[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105190925
[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105216661
[(2,3-difluorophenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204059
[(3-bromo-4-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103140566
[(3,5-dibromophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 107979075
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992
[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303099
1-(4-chloro-3-methylphenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 115853154
[(2,5-dichlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303049

Frequently Asked Questions

What is the IUPAC name of [(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine?
The IUPAC name of [(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine (CID 105204150) is [(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine.
What is the SMILES notation for [(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine?
The canonical SMILES for [(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine is Cc1cc(C(NN)c2cccc3cnccc23)ccc1F.
What is the InChIKey of [(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine?
The InChIKey is BBJUXBHGYPWJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-11-9-12(5-6-16(11)18)17(21-19)15-4-2-3-13-10-20-8-7-14(13)15/h2-10,17,21H,19H2,1H3.
What are the key properties of [(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine?
[(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine has a molecular weight of 281.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine is sourced from PubChem (CID 105204150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).