2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide

C22H13BrClFN2O — CID 4589814

IUPAC2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H13BrClFN2O/c23-14-7-5-13(6-8-14)21-12-17(16-3-1-2-4-20(16)27-21)22(28)26-15-9-10-19(25)18(24)11-15/h1-12H,(H,26,28)
InChIKeyHMXHOIBRIKGCHI-UHFFFAOYSA-N
MW455.71 g/mol
LogP6.71
Rot. Bonds3

About 2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide

2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide (PubChem CID 4589814) has the molecular formula C22H13BrClFN2O and a molecular weight of 455.71 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
PubChem CID4589814
Molecular FormulaC22H13BrClFN2O
Molecular Weight455.71 g/mol
Exact Mass453.99
IUPAC Name2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H13BrClFN2O/c23-14-7-5-13(6-8-14)21-12-17(16-3-1-2-4-20(16)27-21)22(28)26-15-9-10-19(25)18(24)11-15/h1-12H,(H,26,28)
InChIKeyHMXHOIBRIKGCHI-UHFFFAOYSA-N
XLogP6.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.71
LogP ≤ 56.71
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-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide
CID 5102914
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 25470751
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
2-(4-bromophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 5047594
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
2-(3-bromophenyl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
CID 4278826
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide (CID 4589814) is 2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide?
The InChIKey is HMXHOIBRIKGCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrClFN2O/c23-14-7-5-13(6-8-14)21-12-17(16-3-1-2-4-20(16)27-21)22(28)26-15-9-10-19(25)18(24)11-15/h1-12H,(H,26,28).
What are the key properties of 2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide?
2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide has a molecular weight of 455.71 g/mol, XLogP of 6.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4589814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).