2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide

C19H22Br2N2O2 — CID 23737405

IUPAC2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)COc2c(Br)cc(Br)c3cccnc23)C1C
InChIInChI=1S/C19H22Br2N2O2/c1-11-5-3-7-16(12(11)2)23-17(24)10-25-19-15(21)9-14(20)13-6-4-8-22-18(13)19/h4,6,8-9,11-12,16H,3,5,7,10H2,1-2H3,(H,23,24)
InChIKeyCHLKQMTUVUUPHK-UHFFFAOYSA-N
MW470.21 g/mol
LogP5.08
Rot. Bonds4

About 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide

2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 23737405) has the molecular formula C19H22Br2N2O2 and a molecular weight of 470.21 g/mol. Its IUPAC name is 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID23737405
Molecular FormulaC19H22Br2N2O2
Molecular Weight470.21 g/mol
Exact Mass468.00
IUPAC Name2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)COc2c(Br)cc(Br)c3cccnc23)C1C
InChIInChI=1S/C19H22Br2N2O2/c1-11-5-3-7-16(12(11)2)23-17(24)10-25-19-15(21)9-14(20)13-6-4-8-22-18(13)19/h4,6,8-9,11-12,16H,3,5,7,10H2,1-2H3,(H,23,24)
InChIKeyCHLKQMTUVUUPHK-UHFFFAOYSA-N
XLogP5.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.21
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide
CID 42989465
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide
CID 98701498
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7860463
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 11917810
2-(2-bromo-4-chlorophenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11919791
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 3986821
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776590
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-methylphenoxy)acetamide
CID 11920025
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(3,5-dimethylphenoxy)acetamide
CID 11919770
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 16524410
N-(2,3-dimethylcyclohexyl)-8-hydroxyquinoline-7-carboxamide
CID 18372471

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide (CID 23737405) is 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)COc2c(Br)cc(Br)c3cccnc23)C1C.
What is the InChIKey of 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is CHLKQMTUVUUPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Br2N2O2/c1-11-5-3-7-16(12(11)2)23-17(24)10-25-19-15(21)9-14(20)13-6-4-8-22-18(13)19/h4,6,8-9,11-12,16H,3,5,7,10H2,1-2H3,(H,23,24).
What are the key properties of 2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide?
2-(5,7-dibromoquinolin-8-yl)oxy-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 470.21 g/mol, XLogP of 5.08, 4 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-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 23737405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).