2-amino-2-(2-chloroquinolin-3-yl)ethanol

C11H11ClN2O — CID 116985247

IUPAC2-amino-2-(2-chloroquinolin-3-yl)ethanol
SMILESNC(CO)c1cc2ccccc2nc1Cl
InChIInChI=1S/C11H11ClN2O/c12-11-8(9(13)6-15)5-7-3-1-2-4-10(7)14-11/h1-5,9,15H,6,13H2
InChIKeyJMKAJPPOCQYUAL-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.88
Rot. Bonds2

About 2-amino-2-(2-chloroquinolin-3-yl)ethanol

2-amino-2-(2-chloroquinolin-3-yl)ethanol (PubChem CID 116985247) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-amino-2-(2-chloroquinolin-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-chloroquinolin-3-yl)ethanol
PubChem CID116985247
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-amino-2-(2-chloroquinolin-3-yl)ethanol
SMILESNC(CO)c1cc2ccccc2nc1Cl
InChIInChI=1S/C11H11ClN2O/c12-11-8(9(13)6-15)5-7-3-1-2-4-10(7)14-11/h1-5,9,15H,6,13H2
InChIKeyJMKAJPPOCQYUAL-UHFFFAOYSA-N
XLogP1.88
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-chloroquinolin-3-yl)butan-1-amine
CID 131617747
2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol
CID 116985269
(1S)-1-(2-chloroquinolin-3-yl)ethanamine
CID 130699485
2-amino-2-(2-chloroquinolin-3-yl)acetic acid
CID 4112789
2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride
CID 170893249
(1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251439
(S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine
CID 171234837
1-(2-chloroquinolin-3-yl)-3-sulfanylpropane-1,2-diol
CID 170820647
methyl (2R)-2-amino-2-(2-chloroquinolin-3-yl)acetate;hydrochloride
CID 171234856
1-(2-chloroquinolin-3-yl)but-3-en-1-ol
CID 102324582
2-amino-2-phenanthren-9-ylethanol
CID 77130155
2-(2-chloroquinolin-3-yl)propanoic acid
CID 116985221

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-chloroquinolin-3-yl)ethanol?
The IUPAC name of 2-amino-2-(2-chloroquinolin-3-yl)ethanol (CID 116985247) is 2-amino-2-(2-chloroquinolin-3-yl)ethanol.
What is the SMILES notation for 2-amino-2-(2-chloroquinolin-3-yl)ethanol?
The canonical SMILES for 2-amino-2-(2-chloroquinolin-3-yl)ethanol is NC(CO)c1cc2ccccc2nc1Cl.
What is the InChIKey of 2-amino-2-(2-chloroquinolin-3-yl)ethanol?
The InChIKey is JMKAJPPOCQYUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-11-8(9(13)6-15)5-7-3-1-2-4-10(7)14-11/h1-5,9,15H,6,13H2.
What are the key properties of 2-amino-2-(2-chloroquinolin-3-yl)ethanol?
2-amino-2-(2-chloroquinolin-3-yl)ethanol has a molecular weight of 222.68 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-chloroquinolin-3-yl)ethanol is sourced from PubChem (CID 116985247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).