[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine

C17H16ClN3 — CID 105303099

IUPAC[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
SMILESCc1cccc(C(NN)c2cccc3cnccc23)c1Cl
InChIInChI=1S/C17H16ClN3/c1-11-4-2-7-15(16(11)18)17(21-19)14-6-3-5-12-10-20-9-8-13(12)14/h2-10,17,21H,19H2,1H3
InChIKeyPGXTXHPYEPGURC-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.75
Rot. Bonds3

About [(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine

[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine (PubChem CID 105303099) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is [(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
PubChem CID105303099
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
SMILESCc1cccc(C(NN)c2cccc3cnccc23)c1Cl
InChIInChI=1S/C17H16ClN3/c1-11-4-2-7-15(16(11)18)17(21-19)14-6-3-5-12-10-20-9-8-13(12)14/h2-10,17,21H,19H2,1H3
InChIKeyPGXTXHPYEPGURC-UHFFFAOYSA-N
XLogP3.75
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.75
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 [(2-chloro-3-methylphenyl)-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

[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303094
[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191223
[(2,5-dichlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303049
[(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303015
[(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308730
[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105216661
[(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105204150
[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105190925
1-(4-chloro-3-methylphenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 115853154
[(2-bromo-4-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303055
[isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105303091
[(3,5-dibromophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 107979075

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine?
The IUPAC name of [(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine (CID 105303099) is [(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine.
What is the SMILES notation for [(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine?
The canonical SMILES for [(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine is Cc1cccc(C(NN)c2cccc3cnccc23)c1Cl.
What is the InChIKey of [(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine?
The InChIKey is PGXTXHPYEPGURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-11-4-2-7-15(16(11)18)17(21-19)14-6-3-5-12-10-20-9-8-13(12)14/h2-10,17,21H,19H2,1H3.
What are the key properties of [(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine?
[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine has a molecular weight of 297.79 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine is sourced from PubChem (CID 105303099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).