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

C22H13Cl3N2O — CID 3131012

IUPACN-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C22H13Cl3N2O/c23-13-9-10-15(18(25)11-13)21-12-16(14-5-1-3-7-19(14)26-21)22(28)27-20-8-4-2-6-17(20)24/h1-12H,(H,27,28)
InChIKeyCDRYBMQLSDZUPY-UHFFFAOYSA-N
MW427.72 g/mol
LogP7.11
Rot. Bonds3

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

N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide (PubChem CID 3131012) has the molecular formula C22H13Cl3N2O and a molecular weight of 427.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
PubChem CID3131012
Molecular FormulaC22H13Cl3N2O
Molecular Weight427.72 g/mol
Exact Mass426.01
IUPAC NameN-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C22H13Cl3N2O/c23-13-9-10-15(18(25)11-13)21-12-16(14-5-1-3-7-19(14)26-21)22(28)27-20-8-4-2-6-17(20)24/h1-12H,(H,27,28)
InChIKeyCDRYBMQLSDZUPY-UHFFFAOYSA-N
XLogP7.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.72
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 3565307
2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 3601091
N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 35524053
N-(2-chlorophenyl)-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794177
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 3264826
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780
2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 3599973
2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide
CID 62155570
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3298781
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3517701

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide (CID 3131012) is N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide is O=C(Nc1ccccc1Cl)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide?
The InChIKey is CDRYBMQLSDZUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl3N2O/c23-13-9-10-15(18(25)11-13)21-12-16(14-5-1-3-7-19(14)26-21)22(28)27-20-8-4-2-6-17(20)24/h1-12H,(H,27,28).
What are the key properties of N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide?
N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide has a molecular weight of 427.72 g/mol, XLogP of 7.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3131012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).