2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide

C24H18Cl2N2O — CID 3285016

IUPAC2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1
InChIInChI=1S/C24H18Cl2N2O/c1-2-15-7-10-17(11-8-15)27-24(29)19-14-23(16-9-12-20(25)21(26)13-16)28-22-6-4-3-5-18(19)22/h3-14H,2H2,1H3,(H,27,29)
InChIKeyZMQBPXZYAJUPRG-UHFFFAOYSA-N
MW421.33 g/mol
LogP7.02
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide

2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide (PubChem CID 3285016) has the molecular formula C24H18Cl2N2O and a molecular weight of 421.33 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
PubChem CID3285016
Molecular FormulaC24H18Cl2N2O
Molecular Weight421.33 g/mol
Exact Mass420.08
IUPAC Name2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1
InChIInChI=1S/C24H18Cl2N2O/c1-2-15-7-10-17(11-8-15)27-24(29)19-14-23(16-9-12-20(25)21(26)13-16)28-22-6-4-3-5-18(19)22/h3-14H,2H2,1H3,(H,27,29)
InChIKeyZMQBPXZYAJUPRG-UHFFFAOYSA-N
XLogP7.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.33
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 1358755
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4611145
2-(4-ethylphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2163462
N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5043299
2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403
(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate
CID 126188190
2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3649172
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide (CID 3285016) is 2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide is CCc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide?
The InChIKey is ZMQBPXZYAJUPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O/c1-2-15-7-10-17(11-8-15)27-24(29)19-14-23(16-9-12-20(25)21(26)13-16)28-22-6-4-3-5-18(19)22/h3-14H,2H2,1H3,(H,27,29).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide?
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide has a molecular weight of 421.33 g/mol, XLogP of 7.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3285016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).