[(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine

C16H14BrN3 — CID 103139727

IUPAC[(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine
SMILESNNC(c1ccc(Br)cc1)c1cccc2ccncc12
InChIInChI=1S/C16H14BrN3/c17-13-6-4-12(5-7-13)16(20-18)14-3-1-2-11-8-9-19-10-15(11)14/h1-10,16,20H,18H2
InChIKeyZUNGJRPXFCPLOF-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.55
Rot. Bonds3

About [(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine

[(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine (PubChem CID 103139727) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is [(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine
PubChem CID103139727
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name[(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine
SMILESNNC(c1ccc(Br)cc1)c1cccc2ccncc12
InChIInChI=1S/C16H14BrN3/c17-13-6-4-12(5-7-13)16(20-18)14-3-1-2-11-8-9-19-10-15(11)14/h1-10,16,20H,18H2
InChIKeyZUNGJRPXFCPLOF-UHFFFAOYSA-N
XLogP3.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.55
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'}

Analyze [(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine
CID 103136162
[(3-bromo-4-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103140566
[(4-bromophenyl)-naphthalen-1-ylmethyl]hydrazine
CID 105192517
[(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 107954360
[(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103140603
[(3,5-dibromophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 107979075
[1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine
CID 103140456
[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105190925
[isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105303091
(4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine
CID 103136517
4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine
CID 103140237
[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103141724

Frequently Asked Questions

What is the IUPAC name of [(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine?
The IUPAC name of [(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine (CID 103139727) is [(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine.
What is the SMILES notation for [(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine?
The canonical SMILES for [(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine is NNC(c1ccc(Br)cc1)c1cccc2ccncc12.
What is the InChIKey of [(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine?
The InChIKey is ZUNGJRPXFCPLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c17-13-6-4-12(5-7-13)16(20-18)14-3-1-2-11-8-9-19-10-15(11)14/h1-10,16,20H,18H2.
What are the key properties of [(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine?
[(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine has a molecular weight of 328.21 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine is sourced from PubChem (CID 103139727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).