2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide

C22H15Cl2N3O — CID 3649172

IUPAC2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)nc1
InChIInChI=1S/C22H15Cl2N3O/c1-13-6-9-21(25-12-13)27-22(28)16-11-20(14-7-8-17(23)18(24)10-14)26-19-5-3-2-4-15(16)19/h2-12H,1H3,(H,25,27,28)
InChIKeyYBXMRMBLDALTFR-UHFFFAOYSA-N
MW408.29 g/mol
LogP6.16
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide

2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide (PubChem CID 3649172) has the molecular formula C22H15Cl2N3O and a molecular weight of 408.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
PubChem CID3649172
Molecular FormulaC22H15Cl2N3O
Molecular Weight408.29 g/mol
Exact Mass407.06
IUPAC Name2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)nc1
InChIInChI=1S/C22H15Cl2N3O/c1-13-6-9-21(25-12-13)27-22(28)16-11-20(14-7-8-17(23)18(24)10-14)26-19-5-3-2-4-15(16)19/h2-12H,1H3,(H,25,27,28)
InChIKeyYBXMRMBLDALTFR-UHFFFAOYSA-N
XLogP6.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.29
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3595937
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5043299
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 3264826
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016
2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4611145
2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403
2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride
CID 46779248
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 5113014
N-(5-chloro-2-pyridinyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 39753706

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide (CID 3649172) is 2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)nc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide?
The InChIKey is YBXMRMBLDALTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O/c1-13-6-9-21(25-12-13)27-22(28)16-11-20(14-7-8-17(23)18(24)10-14)26-19-5-3-2-4-15(16)19/h2-12H,1H3,(H,25,27,28).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide?
2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide has a molecular weight of 408.29 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 3649172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).