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

C10H12Cl2N2O — CID 12857228

IUPAC5-(aminomethyl)quinolin-6-ol;dihydrochloride
SMILESCl.Cl.NCc1c(O)ccc2ncccc12
InChIInChI=1S/C10H10N2O.2ClH/c11-6-8-7-2-1-5-12-9(7)3-4-10(8)13;;/h1-5,13H,6,11H2;2*1H
InChIKeyXDWNOVILGQGLQM-UHFFFAOYSA-N
MW247.13 g/mol
LogP2.24
Rot. Bonds1

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

5-(aminomethyl)quinolin-6-ol;dihydrochloride (PubChem CID 12857228) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.13 g/mol. Its IUPAC name is 5-(aminomethyl)quinolin-6-ol;dihydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)quinolin-6-ol;dihydrochloride
PubChem CID12857228
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.13 g/mol
Exact Mass246.03
IUPAC Name5-(aminomethyl)quinolin-6-ol;dihydrochloride
SMILESCl.Cl.NCc1c(O)ccc2ncccc12
InChIInChI=1S/C10H10N2O.2ClH/c11-6-8-7-2-1-5-12-9(7)3-4-10(8)13;;/h1-5,13H,6,11H2;2*1H
InChIKeyXDWNOVILGQGLQM-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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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)quinolin-6-ol;dihydrochloride?
The IUPAC name of 5-(aminomethyl)quinolin-6-ol;dihydrochloride (CID 12857228) is 5-(aminomethyl)quinolin-6-ol;dihydrochloride.
What is the SMILES notation for 5-(aminomethyl)quinolin-6-ol;dihydrochloride?
The canonical SMILES for 5-(aminomethyl)quinolin-6-ol;dihydrochloride is Cl.Cl.NCc1c(O)ccc2ncccc12.
What is the InChIKey of 5-(aminomethyl)quinolin-6-ol;dihydrochloride?
The InChIKey is XDWNOVILGQGLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.2ClH/c11-6-8-7-2-1-5-12-9(7)3-4-10(8)13;;/h1-5,13H,6,11H2;2*1H.
What are the key properties of 5-(aminomethyl)quinolin-6-ol;dihydrochloride?
5-(aminomethyl)quinolin-6-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 5-(aminomethyl)quinolin-6-ol;dihydrochloride is sourced from PubChem (CID 12857228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).