N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide

C24H18ClFN2O — CID 3298781

IUPACN-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3F)c3ccccc3n2)c(C)c1
InChIInChI=1S/C24H18ClFN2O/c1-14-7-9-17(15(2)11-14)23-13-19(18-5-3-4-6-21(18)27-23)24(29)28-22-10-8-16(25)12-20(22)26/h3-13H,1-2H3,(H,28,29)
InChIKeyOLMZDZAXRPWQSL-UHFFFAOYSA-N
MW404.87 g/mol
LogP6.56
Rot. Bonds3

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

N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 3298781) has the molecular formula C24H18ClFN2O and a molecular weight of 404.87 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
PubChem CID3298781
Molecular FormulaC24H18ClFN2O
Molecular Weight404.87 g/mol
Exact Mass404.11
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3F)c3ccccc3n2)c(C)c1
InChIInChI=1S/C24H18ClFN2O/c1-14-7-9-17(15(2)11-14)23-13-19(18-5-3-4-6-21(18)27-23)24(29)28-22-10-8-16(25)12-20(22)26/h3-13H,1-2H3,(H,28,29)
InChIKeyOLMZDZAXRPWQSL-UHFFFAOYSA-N
XLogP6.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.87
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5072505
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-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 5239510
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide (CID 3298781) is N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3F)c3ccccc3n2)c(C)c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The InChIKey is OLMZDZAXRPWQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O/c1-14-7-9-17(15(2)11-14)23-13-19(18-5-3-4-6-21(18)27-23)24(29)28-22-10-8-16(25)12-20(22)26/h3-13H,1-2H3,(H,28,29).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 404.87 g/mol, XLogP of 6.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3298781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).