2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide

C18H13Br2N3O4 — CID 23767883

IUPAC2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1[N+](=O)[O-]
InChIInChI=1S/C18H13Br2N3O4/c1-10-4-5-11(7-15(10)23(25)26)22-16(24)9-27-18-14(20)8-13(19)12-3-2-6-21-17(12)18/h2-8H,9H2,1H3,(H,22,24)
InChIKeyGISNHLUZVYGPFM-UHFFFAOYSA-N
MW495.13 g/mol
LogP4.99
Rot. Bonds5

About 2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide

2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide (PubChem CID 23767883) has the molecular formula C18H13Br2N3O4 and a molecular weight of 495.13 g/mol. Its IUPAC name is 2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide
PubChem CID23767883
Molecular FormulaC18H13Br2N3O4
Molecular Weight495.13 g/mol
Exact Mass492.93
IUPAC Name2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1[N+](=O)[O-]
InChIInChI=1S/C18H13Br2N3O4/c1-10-4-5-11(7-15(10)23(25)26)22-16(24)9-27-18-14(20)8-13(19)12-3-2-6-21-17(12)18/h2-8H,9H2,1H3,(H,22,24)
InChIKeyGISNHLUZVYGPFM-UHFFFAOYSA-N
XLogP4.99
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.13
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide
CID 23966900
N-(4-butylphenyl)-2-(5,7-dibromoquinolin-8-yl)oxyacetamide
CID 23880408
2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
N-(4-methyl-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604937
2-(5,7-dibromoquinolin-8-yl)oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4533484
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30906217
2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 91455867
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 5180290
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 40618321
1-(4-methyl-3-nitrophenyl)-3-pyrimidin-2-ylurea
CID 5072186
2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 9212730

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide (CID 23767883) is 2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide is Cc1ccc(NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1[N+](=O)[O-].
What is the InChIKey of 2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide?
The InChIKey is GISNHLUZVYGPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br2N3O4/c1-10-4-5-11(7-15(10)23(25)26)22-16(24)9-27-18-14(20)8-13(19)12-3-2-6-21-17(12)18/h2-8H,9H2,1H3,(H,22,24).
What are the key properties of 2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide?
2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide has a molecular weight of 495.13 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dibromoquinolin-8-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 23767883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).