N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide

C22H12Cl4N2O — CID 3264826

IUPACN-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C22H12Cl4N2O/c23-13-6-8-20(18(26)10-13)28-22(29)15-11-21(12-5-7-16(24)17(25)9-12)27-19-4-2-1-3-14(15)19/h1-11H,(H,28,29)
InChIKeyPCARDIVJGWSOKC-UHFFFAOYSA-N
MW462.16 g/mol
LogP7.77
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide (PubChem CID 3264826) has the molecular formula C22H12Cl4N2O and a molecular weight of 462.16 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
PubChem CID3264826
Molecular FormulaC22H12Cl4N2O
Molecular Weight462.16 g/mol
Exact Mass459.97
IUPAC NameN-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C22H12Cl4N2O/c23-13-6-8-20(18(26)10-13)28-22(29)15-11-21(12-5-7-16(24)17(25)9-12)27-19-4-2-1-3-14(15)19/h1-11H,(H,28,29)
InChIKeyPCARDIVJGWSOKC-UHFFFAOYSA-N
XLogP7.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.16
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
N-(5-chloro-2-hydroxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1310618
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 25470751
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964
2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4611145
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3128616
2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3649172

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide (CID 3264826) is N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide?
The InChIKey is PCARDIVJGWSOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl4N2O/c23-13-6-8-20(18(26)10-13)28-22(29)15-11-21(12-5-7-16(24)17(25)9-12)27-19-4-2-1-3-14(15)19/h1-11H,(H,28,29).
What are the key properties of N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide?
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide has a molecular weight of 462.16 g/mol, XLogP of 7.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3264826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).