2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

C21H20Cl2N4O — CID 4998339

IUPAC2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCN1CCN(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)CC1
InChIInChI=1S/C21H20Cl2N4O/c1-26-8-10-27(11-9-26)25-21(28)17-13-20(16-7-6-14(22)12-18(16)23)24-19-5-3-2-4-15(17)19/h2-7,12-13H,8-11H2,1H3,(H,25,28)
InChIKeyABMBLLIBAYTDGT-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.10
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 4998339) has the molecular formula C21H20Cl2N4O and a molecular weight of 415.32 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID4998339
Molecular FormulaC21H20Cl2N4O
Molecular Weight415.32 g/mol
Exact Mass414.10
IUPAC Name2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCN1CCN(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)CC1
InChIInChI=1S/C21H20Cl2N4O/c1-26-8-10-27(11-9-26)25-21(28)17-13-20(16-7-6-14(22)12-18(16)23)24-19-5-3-2-4-15(17)19/h2-7,12-13H,8-11H2,1H3,(H,25,28)
InChIKeyABMBLLIBAYTDGT-UHFFFAOYSA-N
XLogP4.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780
N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
CID 83017398
2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 3601091
N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3309301
N-[1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 4606140
2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 35524053
2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781982
2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 3565307
N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3517701
2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5072505

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (CID 4998339) is 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is CN1CCN(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)CC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is ABMBLLIBAYTDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O/c1-26-8-10-27(11-9-26)25-21(28)17-13-20(16-7-6-14(22)12-18(16)23)24-19-5-3-2-4-15(17)19/h2-7,12-13H,8-11H2,1H3,(H,25,28).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 415.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4998339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).