N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide

C17H13BrN2O — CID 82712316

IUPACN-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2ccnc3ccccc23)c1
InChIInChI=1S/C17H13BrN2O/c1-11-6-7-14(18)16(10-11)20-17(21)13-8-9-19-15-5-3-2-4-12(13)15/h2-10H,1H3,(H,20,21)
InChIKeyVHLXFRBSGOAYCX-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.56
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide

N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide (PubChem CID 82712316) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
PubChem CID82712316
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC NameN-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2ccnc3ccccc23)c1
InChIInChI=1S/C17H13BrN2O/c1-11-6-7-14(18)16(10-11)20-17(21)13-8-9-19-15-5-3-2-4-12(13)15/h2-10H,1H3,(H,20,21)
InChIKeyVHLXFRBSGOAYCX-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

N-(4-bromo-3-methylphenyl)quinoline-4-carboxamide
CID 78911729
2-bromo-5-methyl-N-quinolin-5-ylbenzamide
CID 80955712
N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide
CID 134008388
N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 78814142
2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 105387129
N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide
CID 79012185
N-(2-bromo-5-methylphenyl)-2-hydrazinylbenzamide
CID 82758478
N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide
CID 82712323
N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 82707201
N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide
CID 107697606
N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide
CID 106685098
N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide (CID 82712316) is N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide is Cc1ccc(Br)c(NC(=O)c2ccnc3ccccc23)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide?
The InChIKey is VHLXFRBSGOAYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-11-6-7-14(18)16(10-11)20-17(21)13-8-9-19-15-5-3-2-4-12(13)15/h2-10H,1H3,(H,20,21).
What are the key properties of N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide?
N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide 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 N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 82712316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).