O-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine

C11H12N2O — CID 117281171

IUPACO-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine
SMILESCc1nccc2ccc(CON)cc12
InChIInChI=1S/C11H12N2O/c1-8-11-6-9(7-14-12)2-3-10(11)4-5-13-8/h2-6H,7,12H2,1H3
InChIKeyFYIWMYRILDIMLP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.93
Rot. Bonds2

About O-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine

O-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine (PubChem CID 117281171) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is O-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine
PubChem CID117281171
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameO-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine
SMILESCc1nccc2ccc(CON)cc12
InChIInChI=1S/C11H12N2O/c1-8-11-6-9(7-14-12)2-3-10(11)4-5-13-8/h2-6H,7,12H2,1H3
InChIKeyFYIWMYRILDIMLP-UHFFFAOYSA-N
XLogP1.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of O-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine?
The IUPAC name of O-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine (CID 117281171) is O-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine is Cc1nccc2ccc(CON)cc12.
What is the InChIKey of O-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine?
The InChIKey is FYIWMYRILDIMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-11-6-9(7-14-12)2-3-10(11)4-5-13-8/h2-6H,7,12H2,1H3.
What are the key properties of O-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine?
O-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine has a molecular weight of 188.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(1-methylisoquinolin-7-yl)methyl]hydroxylamine is sourced from PubChem (CID 117281171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).