2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide

C18H15BrN2O — CID 175483384

IUPAC2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide
SMILESCc1cccc(C(Br)C(=O)Nc2ccc3ncccc3c2)c1
InChIInChI=1S/C18H15BrN2O/c1-12-4-2-5-14(10-12)17(19)18(22)21-15-7-8-16-13(11-15)6-3-9-20-16/h2-11,17H,1H3,(H,21,22)
InChIKeyOJFYXCSKNJBLQU-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.62
Rot. Bonds3

About 2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide

2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide (PubChem CID 175483384) has the molecular formula C18H15BrN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is 2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide
PubChem CID175483384
Molecular FormulaC18H15BrN2O
Molecular Weight355.24 g/mol
Exact Mass354.04
IUPAC Name2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide
SMILESCc1cccc(C(Br)C(=O)Nc2ccc3ncccc3c2)c1
InChIInChI=1S/C18H15BrN2O/c1-12-4-2-5-14(10-12)17(19)18(22)21-15-7-8-16-13(11-15)6-3-9-20-16/h2-11,17H,1H3,(H,21,22)
InChIKeyOJFYXCSKNJBLQU-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid
CID 103498293
N-[3-(3-methylphenyl)butyl]quinolin-6-amine
CID 135134064
(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
CID 14310136
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
(E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide
CID 55731322
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide
CID 60556006
1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea
CID 67835168
2-(3-methylanilino)-2-quinolin-6-ylethanol
CID 63970817
N-quinolin-6-ylbenzamide
CID 833617
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
N-[(3-methylphenyl)-quinolin-6-ylmethyl]ethanamine
CID 63095453
2-chloro-N-quinolin-6-ylacetamide
CID 3144388

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide?
The IUPAC name of 2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide (CID 175483384) is 2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide is Cc1cccc(C(Br)C(=O)Nc2ccc3ncccc3c2)c1.
What is the InChIKey of 2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide?
The InChIKey is OJFYXCSKNJBLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O/c1-12-4-2-5-14(10-12)17(19)18(22)21-15-7-8-16-13(11-15)6-3-9-20-16/h2-11,17H,1H3,(H,21,22).
What are the key properties of 2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide?
2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide has a molecular weight of 355.24 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(3-methylphenyl)-N-quinolin-6-ylacetamide is sourced from PubChem (CID 175483384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).