1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine

C16H14ClN3 — CID 169387020

IUPAC1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine
SMILESClc1nccc2cc(CNNc3ccccc3)ccc12
InChIInChI=1S/C16H14ClN3/c17-16-15-7-6-12(10-13(15)8-9-18-16)11-19-20-14-4-2-1-3-5-14/h1-10,19-20H,11H2
InChIKeyIKWGLJJUQXZUJM-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.00
Rot. Bonds4

About 1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine

1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine (PubChem CID 169387020) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine
PubChem CID169387020
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine
SMILESClc1nccc2cc(CNNc3ccccc3)ccc12
InChIInChI=1S/C16H14ClN3/c17-16-15-7-6-12(10-13(15)8-9-18-16)11-19-20-14-4-2-1-3-5-14/h1-10,19-20H,11H2
InChIKeyIKWGLJJUQXZUJM-UHFFFAOYSA-N
XLogP4.00
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-phenylhydrazine
CID 70410939
1-[[4-(3,4-dichlorophenyl)phenyl]methyl]-2-phenylhydrazine
CID 169386868
1-[[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]methyl]-2-phenylhydrazine
CID 169386590
6-[(benzylamino)methyl]isoquinolin-1-amine
CID 53322817
1-phenyl-2-[(4-quinolin-3-ylphenyl)methyl]hydrazine
CID 169386546
1-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-2-phenylhydrazine
CID 169386901
N-[(1-aminoisoquinolin-6-yl)methyl]-6-benzyl-5-chloropyridine-3-carboxamide
CID 167585958
1-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385676
1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine
CID 169385481
1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine
CID 169387081
[2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid
CID 169384701
1-[(4-cyclobutylphenyl)methyl]-2-phenylhydrazine
CID 169386516

Frequently Asked Questions

What is the IUPAC name of 1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine (CID 169387020) is 1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine is Clc1nccc2cc(CNNc3ccccc3)ccc12.
What is the InChIKey of 1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine?
The InChIKey is IKWGLJJUQXZUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-16-15-7-6-12(10-13(15)8-9-18-16)11-19-20-14-4-2-1-3-5-14/h1-10,19-20H,11H2.
What are the key properties of 1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine?
1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine has a molecular weight of 283.76 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-chloroisoquinolin-6-yl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169387020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).