[(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine

C18H19N3 — CID 105303015

IUPAC[(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine
SMILESCc1ccc(C(NN)c2cccc3cnccc23)cc1C
InChIInChI=1S/C18H19N3/c1-12-6-7-14(10-13(12)2)18(21-19)17-5-3-4-15-11-20-9-8-16(15)17/h3-11,18,21H,19H2,1-2H3
InChIKeyQTJKBDVMPKGIIM-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.40
Rot. Bonds3

About [(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine

[(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine (PubChem CID 105303015) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is [(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine
PubChem CID105303015
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name[(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine
SMILESCc1ccc(C(NN)c2cccc3cnccc23)cc1C
InChIInChI=1S/C18H19N3/c1-12-6-7-14(10-13(12)2)18(21-19)17-5-3-4-15-11-20-9-8-16(15)17/h3-11,18,21H,19H2,1-2H3
InChIKeyQTJKBDVMPKGIIM-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'}

Analyze [(3,4-dimethylphenyl)-isoquinolin-5-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

[(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105204150
[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105190925
[isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105303091
[(3,5-dibromophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 107979075
[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303099
[(3,4-dimethylphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105300235
1-(4-chloro-3-methylphenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 115853154
[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191223
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710524
N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine
CID 43681331
[(3,4-dimethylphenyl)-pyridin-4-ylmethyl]hydrazine
CID 105196557
[(3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]hydrazine
CID 105300300

Frequently Asked Questions

What is the IUPAC name of [(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine?
The IUPAC name of [(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine (CID 105303015) is [(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine.
What is the SMILES notation for [(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine?
The canonical SMILES for [(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine is Cc1ccc(C(NN)c2cccc3cnccc23)cc1C.
What is the InChIKey of [(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine?
The InChIKey is QTJKBDVMPKGIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-6-7-14(10-13(12)2)18(21-19)17-5-3-4-15-11-20-9-8-16(15)17/h3-11,18,21H,19H2,1-2H3.
What are the key properties of [(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine?
[(3,4-dimethylphenyl)-isoquinolin-5-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 [(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine is sourced from PubChem (CID 105303015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).