[(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine

C15H14ClN3S — CID 103408597

IUPAC[(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine
SMILESCc1csc(C(NN)c2cncc3ccccc23)c1Cl
InChIInChI=1S/C15H14ClN3S/c1-9-8-20-15(13(9)16)14(19-17)12-7-18-6-10-4-2-3-5-11(10)12/h2-8,14,19H,17H2,1H3
InChIKeyWNOWAAZKBDZMSX-UHFFFAOYSA-N
MW303.82 g/mol
LogP3.81
Rot. Bonds3

About [(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine

[(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine (PubChem CID 103408597) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is [(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine
PubChem CID103408597
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name[(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine
SMILESCc1csc(C(NN)c2cncc3ccccc23)c1Cl
InChIInChI=1S/C15H14ClN3S/c1-9-8-20-15(13(9)16)14(19-17)12-7-18-6-10-4-2-3-5-11(10)12/h2-8,14,19H,17H2,1H3
InChIKeyWNOWAAZKBDZMSX-UHFFFAOYSA-N
XLogP3.81
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(3-chloro-4-methylthiophen-2-yl)-(2-fluorophenyl)methyl]hydrazine
CID 103408457
[(3-chloro-4-methylthiophen-2-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 103408548
[(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306387
(3-chloro-4-methylthiophen-2-yl)-isoquinolin-5-ylmethanol
CID 103407962
[(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine
CID 103408376
[(4-bromo-2-methylphenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306340
[isoquinolin-4-yl(thiophen-3-yl)methyl]hydrazine
CID 105196792
[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303099
[isoquinolin-4-yl-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 105306415
[(5-chloro-2-fluorophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105280102
[(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine
CID 103524729
[isoquinolin-4-yl-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106756551

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine?
The IUPAC name of [(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine (CID 103408597) is [(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine?
The canonical SMILES for [(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine is Cc1csc(C(NN)c2cncc3ccccc23)c1Cl.
What is the InChIKey of [(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine?
The InChIKey is WNOWAAZKBDZMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-9-8-20-15(13(9)16)14(19-17)12-7-18-6-10-4-2-3-5-11(10)12/h2-8,14,19H,17H2,1H3.
What are the key properties of [(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine?
[(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine has a molecular weight of 303.82 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine is sourced from PubChem (CID 103408597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).