2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide

C24H18Cl2N2O — CID 4162780

IUPAC2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1
InChIInChI=1S/C24H18Cl2N2O/c1-15-6-8-16(9-7-15)14-27-24(29)20-13-23(19-11-10-17(25)12-21(19)26)28-22-5-3-2-4-18(20)22/h2-13H,14H2,1H3,(H,27,29)
InChIKeyFFGHLLHGRJCNCI-UHFFFAOYSA-N
MW421.33 g/mol
LogP6.45
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide

2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 4162780) has the molecular formula C24H18Cl2N2O and a molecular weight of 421.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
PubChem CID4162780
Molecular FormulaC24H18Cl2N2O
Molecular Weight421.33 g/mol
Exact Mass420.08
IUPAC Name2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1
InChIInChI=1S/C24H18Cl2N2O/c1-15-6-8-16(9-7-15)14-27-24(29)20-13-23(19-11-10-17(25)12-21(19)26)28-22-5-3-2-4-18(20)22/h2-13H,14H2,1H3,(H,27,29)
InChIKeyFFGHLLHGRJCNCI-UHFFFAOYSA-N
XLogP6.45
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 ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4112030
N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide
CID 4632644
2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 3601091
N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 4998339
2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5072505
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 20854553
2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2168182
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613
2-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide
CID 3540757

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide (CID 4162780) is 2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide is Cc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is FFGHLLHGRJCNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O/c1-15-6-8-16(9-7-15)14-27-24(29)20-13-23(19-11-10-17(25)12-21(19)26)28-22-5-3-2-4-18(20)22/h2-13H,14H2,1H3,(H,27,29).
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide?
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 421.33 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 4162780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).