[(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine

C18H19N3 — CID 105306387

IUPAC[(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine
SMILESCc1ccc(C)c(C(NN)c2cncc3ccccc23)c1
InChIInChI=1S/C18H19N3/c1-12-7-8-13(2)16(9-12)18(21-19)17-11-20-10-14-5-3-4-6-15(14)17/h3-11,18,21H,19H2,1-2H3
InChIKeyROVUZXGZOMZLJV-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.40
Rot. Bonds3

About [(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine

[(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine (PubChem CID 105306387) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is [(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine
PubChem CID105306387
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name[(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine
SMILESCc1ccc(C)c(C(NN)c2cncc3ccccc23)c1
InChIInChI=1S/C18H19N3/c1-12-7-8-13(2)16(9-12)18(21-19)17-11-20-10-14-5-3-4-6-15(14)17/h3-11,18,21H,19H2,1-2H3
InChIKeyROVUZXGZOMZLJV-UHFFFAOYSA-N
XLogP3.40
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.40
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

[(4-bromo-2-methylphenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306340
[(2,4-difluorophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105216594
[(2,5-dimethylphenyl)-(2-fluorophenyl)methyl]hydrazine
CID 105216831
[isoquinolin-4-yl-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756551
[isoquinolin-4-yl-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 105306415
[(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105280102
[(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine
CID 103408597
[(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306457
[(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine
CID 105301219
N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine
CID 63939788
[isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine
CID 105196792
[(2,5-dimethylphenyl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]hydrazine
CID 103129509

Frequently Asked Questions

What is the IUPAC name of [(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine?
The IUPAC name of [(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine (CID 105306387) is [(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine.
What is the SMILES notation for [(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine?
The canonical SMILES for [(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine is Cc1ccc(C)c(C(NN)c2cncc3ccccc23)c1.
What is the InChIKey of [(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine?
The InChIKey is ROVUZXGZOMZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-7-8-13(2)16(9-12)18(21-19)17-11-20-10-14-5-3-4-6-15(14)17/h3-11,18,21H,19H2,1-2H3.
What are the key properties of [(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine?
[(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine has a molecular weight of 277.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine is sourced from PubChem (CID 105306387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).