N-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide

C26H22BrFN2O — CID 19647600

IUPACN-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cc(C)c(Br)c(C)c3)c2c1
InChIInChI=1S/C26H22BrFN2O/c1-14-9-17(4)25-21(10-14)22(13-23(30-25)18-5-7-19(28)8-6-18)26(31)29-20-11-15(2)24(27)16(3)12-20/h5-13H,1-4H3,(H,29,31)
InChIKeyAZRUISDGSLRWNY-UHFFFAOYSA-N
MW477.38 g/mol
LogP7.29
Rot. Bonds3

About N-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide

N-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide (PubChem CID 19647600) has the molecular formula C26H22BrFN2O and a molecular weight of 477.38 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
PubChem CID19647600
Molecular FormulaC26H22BrFN2O
Molecular Weight477.38 g/mol
Exact Mass476.09
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cc(C)c(Br)c(C)c3)c2c1
InChIInChI=1S/C26H22BrFN2O/c1-14-9-17(4)25-21(10-14)22(13-23(30-25)18-5-7-19(28)8-6-18)26(31)29-20-11-15(2)24(27)16(3)12-20/h5-13H,1-4H3,(H,29,31)
InChIKeyAZRUISDGSLRWNY-UHFFFAOYSA-N
XLogP7.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.38
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Aminophenyl)-6-bromoquinoline-4-carbohydrazide
CID 1379186
N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
6-Bromo-2-phenylquinoline-4-carboxamide
CID 2803005
3-fluoro-N-(2-methylquinolin-6-yl)benzamide
CID 736479
2-methyl-N-(2-methylphenyl)quinoline-4-carboxamide
CID 767385
N-(2,5-dimethylphenyl)-2-ethyl-3-methylquinoline-4-carboxamide
CID 856047
N-(3,5-dimethylphenyl)-2-methyl-4-quinolinecarboxamide
CID 856048
2-Methyl-quinoline-4-carboxylic acid (2,5-dimethyl-phenyl)-amide
CID 856133
6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 944250
N-(2,6-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 1351369
N-(6-acetamidoacridin-3-yl)-4-fluorobenzamide
CID 23658846
2-Phenyl-quinoline-4-carboxylic acid (1-methyl-1-phenyl-ethyl)-amide
CID 10595071

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide (CID 19647600) is N-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cc(C)c(Br)c(C)c3)c2c1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide?
The InChIKey is AZRUISDGSLRWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrFN2O/c1-14-9-17(4)25-21(10-14)22(13-23(30-25)18-5-7-19(28)8-6-18)26(31)29-20-11-15(2)24(27)16(3)12-20/h5-13H,1-4H3,(H,29,31).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide?
N-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide has a molecular weight of 477.38 g/mol, XLogP of 7.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 19647600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).