2-bromo-5-methyl-N-quinolin-5-ylbenzamide

C17H13BrN2O — CID 80955712

IUPAC2-bromo-5-methyl-N-quinolin-5-ylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cccc3ncccc23)c1
InChIInChI=1S/C17H13BrN2O/c1-11-7-8-14(18)13(10-11)17(21)20-16-6-2-5-15-12(16)4-3-9-19-15/h2-10H,1H3,(H,20,21)
InChIKeyOKBVNEULCVQTJB-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.56
Rot. Bonds2

About 2-bromo-5-methyl-N-quinolin-5-ylbenzamide

2-bromo-5-methyl-N-quinolin-5-ylbenzamide (PubChem CID 80955712) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-quinolin-5-ylbenzamide
PubChem CID80955712
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name2-bromo-5-methyl-N-quinolin-5-ylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cccc3ncccc23)c1
InChIInChI=1S/C17H13BrN2O/c1-11-7-8-14(18)13(10-11)17(21)20-16-6-2-5-15-12(16)4-3-9-19-15/h2-10H,1H3,(H,20,21)
InChIKeyOKBVNEULCVQTJB-UHFFFAOYSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739652
N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
CID 82712316
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 81230952
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
2,3,4-trifluoro-N-quinolin-5-ylbenzamide
CID 110868233
4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 26706123
methyl N-quinolin-5-ylcarbamate
CID 110734012
2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81002497
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 82707201
2-methyl-6-phenyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 34130475

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-quinolin-5-ylbenzamide?
The IUPAC name of 2-bromo-5-methyl-N-quinolin-5-ylbenzamide (CID 80955712) is 2-bromo-5-methyl-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-quinolin-5-ylbenzamide?
The canonical SMILES for 2-bromo-5-methyl-N-quinolin-5-ylbenzamide is Cc1ccc(Br)c(C(=O)Nc2cccc3ncccc23)c1.
What is the InChIKey of 2-bromo-5-methyl-N-quinolin-5-ylbenzamide?
The InChIKey is OKBVNEULCVQTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-11-7-8-14(18)13(10-11)17(21)20-16-6-2-5-15-12(16)4-3-9-19-15/h2-10H,1H3,(H,20,21).
What are the key properties of 2-bromo-5-methyl-N-quinolin-5-ylbenzamide?
2-bromo-5-methyl-N-quinolin-5-ylbenzamide has a molecular weight of 341.21 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 80955712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).