2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol

C14H17BrN2O2 — CID 84600503

IUPAC2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1ccc(Br)c2cccnc12
InChIInChI=1S/C14H17BrN2O2/c15-13-4-3-11(10-17(6-8-18)7-9-19)14-12(13)2-1-5-16-14/h1-5,18-19H,6-10H2
InChIKeyDOJQMLQUNLQLTQ-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.78
Rot. Bonds6

About 2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol

2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 84600503) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID84600503
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1ccc(Br)c2cccnc12
InChIInChI=1S/C14H17BrN2O2/c15-13-4-3-11(10-17(6-8-18)7-9-19)14-12(13)2-1-5-16-14/h1-5,18-19H,6-10H2
InChIKeyDOJQMLQUNLQLTQ-UHFFFAOYSA-N
XLogP1.78
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol (CID 84600503) is 2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)Cc1ccc(Br)c2cccnc12.
What is the InChIKey of 2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is DOJQMLQUNLQLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c15-13-4-3-11(10-17(6-8-18)7-9-19)14-12(13)2-1-5-16-14/h1-5,18-19H,6-10H2.
What are the key properties of 2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol?
2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 325.21 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromoquinolin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 84600503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).