N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide

C18H17BrN2O2 — CID 108505760

IUPACN-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCCc3ccccc32)c(Br)c1
InChIInChI=1S/C18H17BrN2O2/c1-12-8-9-15(14(19)11-12)20-17(22)18(23)21-10-4-6-13-5-2-3-7-16(13)21/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,20,22)
InChIKeySZRMRNWAMRVEAJ-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.68
Rot. Bonds1

About N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide

N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide (PubChem CID 108505760) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
PubChem CID108505760
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCCc3ccccc32)c(Br)c1
InChIInChI=1S/C18H17BrN2O2/c1-12-8-9-15(14(19)11-12)20-17(22)18(23)21-10-4-6-13-5-2-3-7-16(13)21/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,20,22)
InChIKeySZRMRNWAMRVEAJ-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide
CID 108505557
N-(4-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505647
N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505775
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-2-oxoacetamide
CID 108505707
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-2-pyridinyl)-2-oxoacetamide
CID 108505780
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
CID 108505690
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108505574
N-(2-butan-2-ylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505764
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide
CID 108505619
2-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)-2-oxoacetamide
CID 108523162
N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108527541
2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108521834

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide (CID 108505760) is N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)N2CCCc3ccccc32)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide?
The InChIKey is SZRMRNWAMRVEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12-8-9-15(14(19)11-12)20-17(22)18(23)21-10-4-6-13-5-2-3-7-16(13)21/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,20,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide?
N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide has a molecular weight of 373.25 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108505760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).