ethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate

C20H18BrNO3 — CID 139561384

IUPACethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1OCc1cc(Br)c2ncccc2c1
InChIInChI=1S/C20H18BrNO3/c1-2-24-19(23)12-15-6-3-4-8-18(15)25-13-14-10-16-7-5-9-22-20(16)17(21)11-14/h3-11H,2,12-13H2,1H3
InChIKeyFMXIBAXQYPYPAB-UHFFFAOYSA-N
MW400.27 g/mol
LogP4.68
Rot. Bonds6

About ethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate

ethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate (PubChem CID 139561384) has the molecular formula C20H18BrNO3 and a molecular weight of 400.27 g/mol. Its IUPAC name is ethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate
PubChem CID139561384
Molecular FormulaC20H18BrNO3
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Nameethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1OCc1cc(Br)c2ncccc2c1
InChIInChI=1S/C20H18BrNO3/c1-2-24-19(23)12-15-6-3-4-8-18(15)25-13-14-10-16-7-5-9-22-20(16)17(21)11-14/h3-11H,2,12-13H2,1H3
InChIKeyFMXIBAXQYPYPAB-UHFFFAOYSA-N
XLogP4.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-[(7-bromo-2-chloro-1-benzofuran-5-yl)methoxy]phenyl]acetate
CID 139561061
ethyl 2-quinolin-8-ylacetate
CID 52562898
ethyl 2-[2-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 11974612
ethyl 2-[2-[[7-bromo-3-(trifluoromethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139561139
8-bromo-6-ethylquinoline
CID 19381206
ethyl 2-[2-[[7-(2-ethylphenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 157458873
ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139560840
ethyl 2-[2-[[7-[6-(2-aminoethyl)-2-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139560183
tert-butyl 2-[2-[(3-bromo-5-methylphenyl)methoxy]phenyl]acetate
CID 121354476
ethyl 8-bromo-3-phenylmethoxyquinoline-2-carboxylate
CID 167492148
6-[[2-(bromomethyl)phenoxy]methyl]quinoline
CID 43324575
ethyl 2-[2-[[7-iodo-2-(phenylmethoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139560775

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate?
The IUPAC name of ethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate (CID 139561384) is ethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate is CCOC(=O)Cc1ccccc1OCc1cc(Br)c2ncccc2c1.
What is the InChIKey of ethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate?
The InChIKey is FMXIBAXQYPYPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO3/c1-2-24-19(23)12-15-6-3-4-8-18(15)25-13-14-10-16-7-5-9-22-20(16)17(21)11-14/h3-11H,2,12-13H2,1H3.
What are the key properties of ethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate?
ethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate has a molecular weight of 400.27 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate is sourced from PubChem (CID 139561384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).