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

C14H17BrN2O — CID 84597505

IUPAC2-[(5-bromoquinolin-8-yl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1ccc(Br)c2cccnc12
InChIInChI=1S/C14H17BrN2O/c1-2-17(8-9-18)10-11-5-6-13(15)12-4-3-7-16-14(11)12/h3-7,18H,2,8-10H2,1H3
InChIKeyGDTHAGGUXXREOZ-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.81
Rot. Bonds5

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

2-[(5-bromoquinolin-8-yl)methyl-ethylamino]ethanol (PubChem CID 84597505) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-[(5-bromoquinolin-8-yl)methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromoquinolin-8-yl)methyl-ethylamino]ethanol
PubChem CID84597505
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-[(5-bromoquinolin-8-yl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1ccc(Br)c2cccnc12
InChIInChI=1S/C14H17BrN2O/c1-2-17(8-9-18)10-11-5-6-13(15)12-4-3-7-16-14(11)12/h3-7,18H,2,8-10H2,1H3
InChIKeyGDTHAGGUXXREOZ-UHFFFAOYSA-N
XLogP2.81
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Bromoquinoline
CID 521259
5-Bromoquinoline
CID 817321
Quinoline, 7-bromo-4-(4-diethylamino-1-methyl)butylamino-
CID 3031733
N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 10245549
N-(7-bromoquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine
CID 10550790
N-(7-bromoquinolin-4-yl)-N',N'-diethyldodecane-1,12-diamine
CID 10600129
N-(7-bromoquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 10854309
2-[4-[[(6-Fluoroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol
CID 56779973
1-[(7-Bromoquinolin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 71996715
5-Bromoquinoline-8-carbonitrile
CID 11276336
5-Bromo-8-(bromomethyl)quinoline
CID 13152197
5-Bromo-6-methylquinoline
CID 14117360

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromoquinolin-8-yl)methyl-ethylamino]ethanol?
The IUPAC name of 2-[(5-bromoquinolin-8-yl)methyl-ethylamino]ethanol (CID 84597505) is 2-[(5-bromoquinolin-8-yl)methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[(5-bromoquinolin-8-yl)methyl-ethylamino]ethanol?
The canonical SMILES for 2-[(5-bromoquinolin-8-yl)methyl-ethylamino]ethanol is CCN(CCO)Cc1ccc(Br)c2cccnc12.
What is the InChIKey of 2-[(5-bromoquinolin-8-yl)methyl-ethylamino]ethanol?
The InChIKey is GDTHAGGUXXREOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-2-17(8-9-18)10-11-5-6-13(15)12-4-3-7-16-14(11)12/h3-7,18H,2,8-10H2,1H3.
What are the key properties of 2-[(5-bromoquinolin-8-yl)methyl-ethylamino]ethanol?
2-[(5-bromoquinolin-8-yl)methyl-ethylamino]ethanol has a molecular weight of 309.21 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromoquinolin-8-yl)methyl-ethylamino]ethanol is sourced from PubChem (CID 84597505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).