2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide

C24H20ClN3O — CID 4052341

IUPAC2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H20ClN3O/c1-28(2)19-13-11-18(12-14-19)26-24(29)21-15-23(16-7-9-17(25)10-8-16)27-22-6-4-3-5-20(21)22/h3-15H,1-2H3,(H,26,29)
InChIKeyMMICZIVUCZSOOR-UHFFFAOYSA-N
MW401.90 g/mol
LogP5.87
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide (PubChem CID 4052341) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
PubChem CID4052341
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC Name2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H20ClN3O/c1-28(2)19-13-11-18(12-14-19)26-24(29)21-15-23(16-7-9-17(25)10-8-16)27-22-6-4-3-5-20(21)22/h3-15H,1-2H3,(H,26,29)
InChIKeyMMICZIVUCZSOOR-UHFFFAOYSA-N
XLogP5.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide
CID 39204456
N-(4-chlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164619676
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
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-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide (CID 4052341) is 2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide is CN(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide?
The InChIKey is MMICZIVUCZSOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O/c1-28(2)19-13-11-18(12-14-19)26-24(29)21-15-23(16-7-9-17(25)10-8-16)27-22-6-4-3-5-20(21)22/h3-15H,1-2H3,(H,26,29).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide has a molecular weight of 401.90 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 4052341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).