N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide

C24H18BrFN2O — CID 4685628

IUPACN-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3F)c3ccccc3n2)cc1C
InChIInChI=1S/C24H18BrFN2O/c1-14-7-8-16(11-15(14)2)23-13-19(18-5-3-4-6-21(18)27-23)24(29)28-22-10-9-17(25)12-20(22)26/h3-13H,1-2H3,(H,28,29)
InChIKeyYRYJIRISDYFQCD-UHFFFAOYSA-N
MW449.32 g/mol
LogP6.67
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide

N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 4685628) has the molecular formula C24H18BrFN2O and a molecular weight of 449.32 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
PubChem CID4685628
Molecular FormulaC24H18BrFN2O
Molecular Weight449.32 g/mol
Exact Mass448.06
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3F)c3ccccc3n2)cc1C
InChIInChI=1S/C24H18BrFN2O/c1-14-7-8-16(11-15(14)2)23-13-19(18-5-3-4-6-21(18)27-23)24(29)28-22-10-9-17(25)12-20(22)26/h3-13H,1-2H3,(H,28,29)
InChIKeyYRYJIRISDYFQCD-UHFFFAOYSA-N
XLogP6.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.32
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
N-(4-bromo-2-fluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 39315313
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5151402
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955
2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4060767
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
2-(4-bromophenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 4289589
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide (CID 4685628) is N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3F)c3ccccc3n2)cc1C.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
The InChIKey is YRYJIRISDYFQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrFN2O/c1-14-7-8-16(11-15(14)2)23-13-19(18-5-3-4-6-21(18)27-23)24(29)28-22-10-9-17(25)12-20(22)26/h3-13H,1-2H3,(H,28,29).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 449.32 g/mol, XLogP of 6.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4685628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).