[(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine

C16H14IN3 — CID 105306457

IUPAC[(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine
SMILESNNC(c1ccc(I)cc1)c1cncc2ccccc12
InChIInChI=1S/C16H14IN3/c17-13-7-5-11(6-8-13)16(20-18)15-10-19-9-12-3-1-2-4-14(12)15/h1-10,16,20H,18H2
InChIKeyHCHVQWZEMLDLJH-UHFFFAOYSA-N
MW375.21 g/mol
LogP3.39
Rot. Bonds3

About [(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine

[(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine (PubChem CID 105306457) has the molecular formula C16H14IN3 and a molecular weight of 375.21 g/mol. Its IUPAC name is [(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine
PubChem CID105306457
Molecular FormulaC16H14IN3
Molecular Weight375.21 g/mol
Exact Mass375.02
IUPAC Name[(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine
SMILESNNC(c1ccc(I)cc1)c1cncc2ccccc12
InChIInChI=1S/C16H14IN3/c17-13-7-5-11(6-8-13)16(20-18)15-10-19-9-12-3-1-2-4-14(12)15/h1-10,16,20H,18H2
InChIKeyHCHVQWZEMLDLJH-UHFFFAOYSA-N
XLogP3.39
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine
CID 105196792
[isoquinolin-4-yl-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756551
[(2,4-difluorophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105216594
[isoquinolin-4-yl-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 105306415
[(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105280102
[(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306387
1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine
CID 63938040
1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63940161
[(4-bromo-2-methylphenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306340
[(4-iodophenyl)-naphthalen-2-ylmethyl]hydrazine
CID 105301574
[(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine
CID 103408597
N-[(4-chlorophenyl)-isoquinolin-4-ylmethyl]ethanamine
CID 63941143

Frequently Asked Questions

What is the IUPAC name of [(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine?
The IUPAC name of [(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine (CID 105306457) is [(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine.
What is the SMILES notation for [(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine?
The canonical SMILES for [(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine is NNC(c1ccc(I)cc1)c1cncc2ccccc12.
What is the InChIKey of [(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine?
The InChIKey is HCHVQWZEMLDLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN3/c17-13-7-5-11(6-8-13)16(20-18)15-10-19-9-12-3-1-2-4-14(12)15/h1-10,16,20H,18H2.
What are the key properties of [(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine?
[(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine has a molecular weight of 375.21 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine is sourced from PubChem (CID 105306457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).