2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol

C14H17BrN2O2 — CID 110434299

IUPAC2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCc1cc(N(CCO)CCO)c2cccc(Br)c2n1
InChIInChI=1S/C14H17BrN2O2/c1-10-9-13(17(5-7-18)6-8-19)11-3-2-4-12(15)14(11)16-10/h2-4,9,18-19H,5-8H2,1H3
InChIKeyIMGAOOTZGSRNHU-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.10
Rot. Bonds5

About 2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol

2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 110434299) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID110434299
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCc1cc(N(CCO)CCO)c2cccc(Br)c2n1
InChIInChI=1S/C14H17BrN2O2/c1-10-9-13(17(5-7-18)6-8-19)11-3-2-4-12(15)14(11)16-10/h2-4,9,18-19H,5-8H2,1H3
InChIKeyIMGAOOTZGSRNHU-UHFFFAOYSA-N
XLogP2.10
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449013
3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol
CID 133368217
2-[methyl-(2-methylquinolin-4-yl)amino]ethanol
CID 60716400
8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine
CID 172840400
4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol
CID 978277
8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine
CID 110432998
8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489307
5-bromo-1,3-dimethylisoquinoline
CID 58093537
8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine
CID 137442686
2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 6452801
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]ethanol
CID 61147655
2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol
CID 106541425

Frequently Asked Questions

What is the IUPAC name of 2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol (CID 110434299) is 2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol is Cc1cc(N(CCO)CCO)c2cccc(Br)c2n1.
What is the InChIKey of 2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is IMGAOOTZGSRNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-10-9-13(17(5-7-18)6-8-19)11-3-2-4-12(15)14(11)16-10/h2-4,9,18-19H,5-8H2,1H3.
What are the key properties of 2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 325.21 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-bromo-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 110434299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).