2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide

C12H10Br2N2O2 — CID 7866129

IUPAC2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
SMILESCNC(=O)COc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C12H10Br2N2O2/c1-15-10(17)6-18-12-9(14)5-8(13)7-3-2-4-16-11(7)12/h2-5H,6H2,1H3,(H,15,17)
InChIKeyWAVDJKUJFSDPOC-UHFFFAOYSA-N
MW374.03 g/mol
LogP2.88
Rot. Bonds3

About 2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide

2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide (PubChem CID 7866129) has the molecular formula C12H10Br2N2O2 and a molecular weight of 374.03 g/mol. Its IUPAC name is 2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide.

Molecular Properties

Compound Name2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
PubChem CID7866129
Molecular FormulaC12H10Br2N2O2
Molecular Weight374.03 g/mol
Exact Mass371.91
IUPAC Name2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
SMILESCNC(=O)COc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C12H10Br2N2O2/c1-15-10(17)6-18-12-9(14)5-8(13)7-3-2-4-16-11(7)12/h2-5H,6H2,1H3,(H,15,17)
InChIKeyWAVDJKUJFSDPOC-UHFFFAOYSA-N
XLogP2.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 91455867
N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide
CID 23880408
2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide
CID 23737405
2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide
CID 23767883
2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4533484
3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine
CID 62597922
5,7-dibromo-8-methoxyquinoline
CID 10805403
propan-2-yl 2-[4-[(E)-[[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126193500
5,7-dibromo-8-but-2-enoxyquinoline
CID 4859559
N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine
CID 55093115
2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate
CID 21069694
4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine
CID 62597239

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide?
The IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide (CID 7866129) is 2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide.
What is the SMILES notation for 2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide?
The canonical SMILES for 2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide is CNC(=O)COc1c(Br)cc(Br)c2cccnc12.
What is the InChIKey of 2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide?
The InChIKey is WAVDJKUJFSDPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2/c1-15-10(17)6-18-12-9(14)5-8(13)7-3-2-4-16-11(7)12/h2-5H,6H2,1H3,(H,15,17).
What are the key properties of 2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide?
2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide has a molecular weight of 374.03 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide is sourced from PubChem (CID 7866129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).