2-amino-2-(6-bromoquinolin-4-yl)ethanol

C11H11BrN2O — CID 82667235

IUPAC2-amino-2-(6-bromoquinolin-4-yl)ethanol
SMILESNC(CO)c1ccnc2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O/c12-7-1-2-11-9(5-7)8(3-4-14-11)10(13)6-15/h1-5,10,15H,6,13H2
InChIKeyGDYVEHZHNJACQI-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.99
Rot. Bonds2

About 2-amino-2-(6-bromoquinolin-4-yl)ethanol

2-amino-2-(6-bromoquinolin-4-yl)ethanol (PubChem CID 82667235) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-amino-2-(6-bromoquinolin-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(6-bromoquinolin-4-yl)ethanol
PubChem CID82667235
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name2-amino-2-(6-bromoquinolin-4-yl)ethanol
SMILESNC(CO)c1ccnc2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O/c12-7-1-2-11-9(5-7)8(3-4-14-11)10(13)6-15/h1-5,10,15H,6,13H2
InChIKeyGDYVEHZHNJACQI-UHFFFAOYSA-N
XLogP1.99
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-bromoquinolin-4-yl)ethanol?
The IUPAC name of 2-amino-2-(6-bromoquinolin-4-yl)ethanol (CID 82667235) is 2-amino-2-(6-bromoquinolin-4-yl)ethanol.
What is the SMILES notation for 2-amino-2-(6-bromoquinolin-4-yl)ethanol?
The canonical SMILES for 2-amino-2-(6-bromoquinolin-4-yl)ethanol is NC(CO)c1ccnc2ccc(Br)cc12.
What is the InChIKey of 2-amino-2-(6-bromoquinolin-4-yl)ethanol?
The InChIKey is GDYVEHZHNJACQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-7-1-2-11-9(5-7)8(3-4-14-11)10(13)6-15/h1-5,10,15H,6,13H2.
What are the key properties of 2-amino-2-(6-bromoquinolin-4-yl)ethanol?
2-amino-2-(6-bromoquinolin-4-yl)ethanol has a molecular weight of 267.13 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-bromoquinolin-4-yl)ethanol is sourced from PubChem (CID 82667235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).