2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C20H16Br2N2O2 — CID 2389139

IUPAC2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESO=C(COc1c(Br)cc(Br)c2cccnc12)N1CCc2ccccc2C1
InChIInChI=1S/C20H16Br2N2O2/c21-16-10-17(22)20(19-15(16)6-3-8-23-19)26-12-18(25)24-9-7-13-4-1-2-5-14(13)11-24/h1-6,8,10H,7,9,11-12H2
InChIKeyWNCKJLJNOLSWNI-UHFFFAOYSA-N
MW476.17 g/mol
LogP4.72
Rot. Bonds3

About 2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (PubChem CID 2389139) has the molecular formula C20H16Br2N2O2 and a molecular weight of 476.17 g/mol. Its IUPAC name is 2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
PubChem CID2389139
Molecular FormulaC20H16Br2N2O2
Molecular Weight476.17 g/mol
Exact Mass473.96
IUPAC Name2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESO=C(COc1c(Br)cc(Br)c2cccnc12)N1CCc2ccccc2C1
InChIInChI=1S/C20H16Br2N2O2/c21-16-10-17(22)20(19-15(16)6-3-8-23-19)26-12-18(25)24-9-7-13-4-1-2-5-14(13)11-24/h1-6,8,10H,7,9,11-12H2
InChIKeyWNCKJLJNOLSWNI-UHFFFAOYSA-N
XLogP4.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.17
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CID 2389139) is 2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
What is the SMILES notation for 2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The canonical SMILES for 2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is O=C(COc1c(Br)cc(Br)c2cccnc12)N1CCc2ccccc2C1.
What is the InChIKey of 2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The InChIKey is WNCKJLJNOLSWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2N2O2/c21-16-10-17(22)20(19-15(16)6-3-8-23-19)26-12-18(25)24-9-7-13-4-1-2-5-14(13)11-24/h1-6,8,10H,7,9,11-12H2.
What are the key properties of 2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone has a molecular weight of 476.17 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is sourced from PubChem (CID 2389139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).