N-hydroxy-N'-isoquinolin-1-ylethanimidamide

C11H11N3O — CID 154033700

IUPACN-hydroxy-N'-isoquinolin-1-ylethanimidamide
SMILESC/C(=N\c1nccc2ccccc12)NO
InChIInChI=1S/C11H11N3O/c1-8(14-15)13-11-10-5-3-2-4-9(10)6-7-12-11/h2-7,15H,1H3,(H,12,13,14)
InChIKeyARRMTXMUGQIETD-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.26
Rot. Bonds1

About N-hydroxy-N'-isoquinolin-1-ylethanimidamide

N-hydroxy-N'-isoquinolin-1-ylethanimidamide (PubChem CID 154033700) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is N-hydroxy-N'-isoquinolin-1-ylethanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-isoquinolin-1-ylethanimidamide
PubChem CID154033700
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC NameN-hydroxy-N'-isoquinolin-1-ylethanimidamide
SMILESC/C(=N\c1nccc2ccccc12)NO
InChIInChI=1S/C11H11N3O/c1-8(14-15)13-11-10-5-3-2-4-9(10)6-7-12-11/h2-7,15H,1H3,(H,12,13,14)
InChIKeyARRMTXMUGQIETD-UHFFFAOYSA-N
XLogP2.26
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfinylisoquinoline
CID 23423809
3-isoquinolin-1-yliminoprop-1-en-1-amine
CID 141421882
N-(isoquinolin-1-ylmethyl)acetamide
CID 20717922
dibutyl-isoquinolin-1-ylimino-oxo-λ6-sulfane
CID 132512789
zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine)
CID 156629591
N-hydroxy-N'-pyridin-4-ylethanimidamide
CID 54168980
ethane;isoquinolin-1-ylhydrazine
CID 142316933
2-(isoquinolin-1-ylmethyl)-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111039294
formic acid;1-methylisoquinoline
CID 175196109
isoquinoline-1-carboxamide;hydrochloride
CID 57458906
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415
isoquinolin-1-ylmethanediol
CID 57261748

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-isoquinolin-1-ylethanimidamide?
The IUPAC name of N-hydroxy-N'-isoquinolin-1-ylethanimidamide (CID 154033700) is N-hydroxy-N'-isoquinolin-1-ylethanimidamide.
What is the SMILES notation for N-hydroxy-N'-isoquinolin-1-ylethanimidamide?
The canonical SMILES for N-hydroxy-N'-isoquinolin-1-ylethanimidamide is C/C(=N\c1nccc2ccccc12)NO.
What is the InChIKey of N-hydroxy-N'-isoquinolin-1-ylethanimidamide?
The InChIKey is ARRMTXMUGQIETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8(14-15)13-11-10-5-3-2-4-9(10)6-7-12-11/h2-7,15H,1H3,(H,12,13,14).
What are the key properties of N-hydroxy-N'-isoquinolin-1-ylethanimidamide?
N-hydroxy-N'-isoquinolin-1-ylethanimidamide has a molecular weight of 201.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-isoquinolin-1-ylethanimidamide is sourced from PubChem (CID 154033700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).