2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide

C24H19BrN2O — CID 2163425

IUPAC2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c1
InChIInChI=1S/C24H19BrN2O/c1-15-11-16(2)13-19(12-15)26-24(28)21-14-23(17-7-9-18(25)10-8-17)27-22-6-4-3-5-20(21)22/h3-14H,1-2H3,(H,26,28)
InChIKeyQRDODPVGAOWNML-UHFFFAOYSA-N
MW431.33 g/mol
LogP6.53
Rot. Bonds3

About 2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide

2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 2163425) has the molecular formula C24H19BrN2O and a molecular weight of 431.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
PubChem CID2163425
Molecular FormulaC24H19BrN2O
Molecular Weight431.33 g/mol
Exact Mass430.07
IUPAC Name2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c1
InChIInChI=1S/C24H19BrN2O/c1-15-11-16(2)13-19(12-15)26-24(28)21-14-23(17-7-9-18(25)10-8-17)27-22-6-4-3-5-20(21)22/h3-14H,1-2H3,(H,26,28)
InChIKeyQRDODPVGAOWNML-UHFFFAOYSA-N
XLogP6.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.33
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1358287
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(4-bromophenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 4289589
2-(4-bromophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 5047594
2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
CID 4589814
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 5116892
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5151402
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 25470751

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide (CID 2163425) is 2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide is Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide?
The InChIKey is QRDODPVGAOWNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O/c1-15-11-16(2)13-19(12-15)26-24(28)21-14-23(17-7-9-18(25)10-8-17)27-22-6-4-3-5-20(21)22/h3-14H,1-2H3,(H,26,28).
What are the key properties of 2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide?
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 431.33 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2163425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).