2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide

C21H13Cl2N3O — CID 3601091

IUPAC2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C21H13Cl2N3O/c22-13-5-6-16(18(23)11-13)20-12-17(15-3-1-2-4-19(15)26-20)21(27)25-14-7-9-24-10-8-14/h1-12H,(H,24,25,27)
InChIKeyWLDAYHTXUXILNO-UHFFFAOYSA-N
MW394.26 g/mol
LogP5.86
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide

2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 3601091) has the molecular formula C21H13Cl2N3O and a molecular weight of 394.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
PubChem CID3601091
Molecular FormulaC21H13Cl2N3O
Molecular Weight394.26 g/mol
Exact Mass393.04
IUPAC Name2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C21H13Cl2N3O/c22-13-5-6-16(18(23)11-13)20-12-17(15-3-1-2-4-19(15)26-20)21(27)25-14-7-9-24-10-8-14/h1-12H,(H,24,25,27)
InChIKeyWLDAYHTXUXILNO-UHFFFAOYSA-N
XLogP5.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.26
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 35524053
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 2965510
2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 3565307
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156
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-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 1225611
2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 4998339
N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3309301

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide (CID 3601091) is 2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide is O=C(Nc1ccncc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is WLDAYHTXUXILNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O/c22-13-5-6-16(18(23)11-13)20-12-17(15-3-1-2-4-19(15)26-20)21(27)25-14-7-9-24-10-8-14/h1-12H,(H,24,25,27).
What are the key properties of 2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 394.26 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 3601091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).