[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine

C17H17N3O — CID 105191223

IUPAC[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccccc1C(NN)c1cccc2cnccc12
InChIInChI=1S/C17H17N3O/c1-21-16-8-3-2-6-15(16)17(20-18)14-7-4-5-12-11-19-10-9-13(12)14/h2-11,17,20H,18H2,1H3
InChIKeyDRDFYDQLDUHXEW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.80
Rot. Bonds4

About [isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine

[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine (PubChem CID 105191223) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is [isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
PubChem CID105191223
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccccc1C(NN)c1cccc2cnccc12
InChIInChI=1S/C17H17N3O/c1-21-16-8-3-2-6-15(16)17(20-18)14-7-4-5-12-11-19-10-9-13(12)14/h2-11,17,20H,18H2,1H3
InChIKeyDRDFYDQLDUHXEW-UHFFFAOYSA-N
XLogP2.80
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.80
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

[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105190925
[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303099
bis(2-methoxyphenyl)methylhydrazine
CID 105191029
[(3-chloro-4-pyridinyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285750
[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303094
[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105216661
[(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303015
(1-isoquinolin-5-yl-2-methoxypropyl)hydrazine
CID 105247037
[(2-methoxyphenyl)-pyridin-4-ylmethyl]hydrazine
CID 105196350
[(2-bromo-4-fluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303055
[(2-fluoro-3-methoxyphenyl)-(3-methyl-4-pyridinyl)methyl]hydrazine
CID 105261827
[(2,5-dichlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303049

Frequently Asked Questions

What is the IUPAC name of [isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine (CID 105191223) is [isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine is COc1ccccc1C(NN)c1cccc2cnccc12.
What is the InChIKey of [isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine?
The InChIKey is DRDFYDQLDUHXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-16-8-3-2-6-15(16)17(20-18)14-7-4-5-12-11-19-10-9-13(12)14/h2-11,17,20H,18H2,1H3.
What are the key properties of [isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine?
[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine has a molecular weight of 279.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105191223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).