6-(aminomethyl)isoquinolin-5-ol;dihydrochloride

C10H12Cl2N2O — CID 12857242

IUPAC6-(aminomethyl)isoquinolin-5-ol;dihydrochloride
SMILESCl.Cl.NCc1ccc2cnccc2c1O
InChIInChI=1S/C10H10N2O.2ClH/c11-5-7-1-2-8-6-12-4-3-9(8)10(7)13;;/h1-4,6,13H,5,11H2;2*1H
InChIKeyHPLWKQKINJLZKH-UHFFFAOYSA-N
MW247.13 g/mol
LogP2.24
Rot. Bonds1

About 6-(aminomethyl)isoquinolin-5-ol;dihydrochloride

6-(aminomethyl)isoquinolin-5-ol;dihydrochloride (PubChem CID 12857242) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.13 g/mol. Its IUPAC name is 6-(aminomethyl)isoquinolin-5-ol;dihydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)isoquinolin-5-ol;dihydrochloride
PubChem CID12857242
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.13 g/mol
Exact Mass246.03
IUPAC Name6-(aminomethyl)isoquinolin-5-ol;dihydrochloride
SMILESCl.Cl.NCc1ccc2cnccc2c1O
InChIInChI=1S/C10H10N2O.2ClH/c11-5-7-1-2-8-6-12-4-3-9(8)10(7)13;;/h1-4,6,13H,5,11H2;2*1H
InChIKeyHPLWKQKINJLZKH-UHFFFAOYSA-N
XLogP2.24
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

Isoquinolin-5-ol
CID 30386
8-Hydroxyisoquinoline
CID 135441711
6-Pyridin-3-ylnaphthalen-2-ol
CID 11514074
5-(1,1-Dimethyl-heptyl)-2-pyridin-3-yl-phenol
CID 11551123
4''-(Pyridin-4-ylmethyl)biphenyl-3-ol
CID 46901446
6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
CID 46901929
7-Isoquinolinol
CID 459767
Isoquinolin-6-ol
CID 135483582
1-[[Ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 2396090
2-(3-Pyridylmethyl)-1-naphthol
CID 15617838
6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol
CID 24970356
6-(3-Hydroxyphenyl)-1-(pyridin-4-yl)-2-naphthol
CID 135955190

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)isoquinolin-5-ol;dihydrochloride?
The IUPAC name of 6-(aminomethyl)isoquinolin-5-ol;dihydrochloride (CID 12857242) is 6-(aminomethyl)isoquinolin-5-ol;dihydrochloride.
What is the SMILES notation for 6-(aminomethyl)isoquinolin-5-ol;dihydrochloride?
The canonical SMILES for 6-(aminomethyl)isoquinolin-5-ol;dihydrochloride is Cl.Cl.NCc1ccc2cnccc2c1O.
What is the InChIKey of 6-(aminomethyl)isoquinolin-5-ol;dihydrochloride?
The InChIKey is HPLWKQKINJLZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.2ClH/c11-5-7-1-2-8-6-12-4-3-9(8)10(7)13;;/h1-4,6,13H,5,11H2;2*1H.
What are the key properties of 6-(aminomethyl)isoquinolin-5-ol;dihydrochloride?
6-(aminomethyl)isoquinolin-5-ol;dihydrochloride has a molecular weight of 247.13 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)isoquinolin-5-ol;dihydrochloride is sourced from PubChem (CID 12857242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).