2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride

C10H9Cl3N2O — CID 91800835

IUPAC2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride
SMILESCl.NCc1ccc2c(Cl)cc(Cl)c(O)c2n1
InChIInChI=1S/C10H8Cl2N2O.ClH/c11-7-3-8(12)10(15)9-6(7)2-1-5(4-13)14-9;/h1-3,15H,4,13H2;1H
InChIKeyJTWWGOJGERXGGR-UHFFFAOYSA-N
MW279.55 g/mol
LogP3.13
Rot. Bonds1

About 2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride

2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride (PubChem CID 91800835) has the molecular formula C10H9Cl3N2O and a molecular weight of 279.55 g/mol. Its IUPAC name is 2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride
PubChem CID91800835
Molecular FormulaC10H9Cl3N2O
Molecular Weight279.55 g/mol
Exact Mass277.98
IUPAC Name2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride
SMILESCl.NCc1ccc2c(Cl)cc(Cl)c(O)c2n1
InChIInChI=1S/C10H8Cl2N2O.ClH/c11-7-3-8(12)10(15)9-6(7)2-1-5(4-13)14-9;/h1-3,15H,4,13H2;1H
InChIKeyJTWWGOJGERXGGR-UHFFFAOYSA-N
XLogP3.13
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.55
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride (CID 91800835) is 2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride is Cl.NCc1ccc2c(Cl)cc(Cl)c(O)c2n1.
What is the InChIKey of 2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride?
The InChIKey is JTWWGOJGERXGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O.ClH/c11-7-3-8(12)10(15)9-6(7)2-1-5(4-13)14-9;/h1-3,15H,4,13H2;1H.
What are the key properties of 2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride?
2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride has a molecular weight of 279.55 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5,7-dichloroquinolin-8-ol;hydrochloride is sourced from PubChem (CID 91800835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).