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

C22H13ClF2N2O — CID 2165659

IUPAC2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C22H13ClF2N2O/c23-14-7-5-13(6-8-14)21-12-17(16-3-1-2-4-19(16)26-21)22(28)27-20-10-9-15(24)11-18(20)25/h1-12H,(H,27,28)
InChIKeyMCUJCPLYPPHPKU-UHFFFAOYSA-N
MW394.81 g/mol
LogP6.09
Rot. Bonds3

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

2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide (PubChem CID 2165659) has the molecular formula C22H13ClF2N2O and a molecular weight of 394.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
PubChem CID2165659
Molecular FormulaC22H13ClF2N2O
Molecular Weight394.81 g/mol
Exact Mass394.07
IUPAC Name2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C22H13ClF2N2O/c23-14-7-5-13(6-8-14)21-12-17(16-3-1-2-4-19(16)26-21)22(28)27-20-10-9-15(24)11-18(20)25/h1-12H,(H,27,28)
InChIKeyMCUJCPLYPPHPKU-UHFFFAOYSA-N
XLogP6.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.81
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4074181
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 3264826
2-cyclopropyl-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 9209411
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3128616
N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3298781
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-(5-chloro-2-hydroxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1310618
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5161024

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide (CID 2165659) is 2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide is O=C(Nc1ccc(F)cc1F)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide?
The InChIKey is MCUJCPLYPPHPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF2N2O/c23-14-7-5-13(6-8-14)21-12-17(16-3-1-2-4-19(16)26-21)22(28)27-20-10-9-15(24)11-18(20)25/h1-12H,(H,27,28).
What are the key properties of 2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide has a molecular weight of 394.81 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2165659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).