2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide

C22H13BrF2N2O — CID 5102914

IUPAC2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C22H13BrF2N2O/c23-14-5-3-4-13(10-14)21-12-17(16-6-1-2-7-20(16)27-21)22(28)26-15-8-9-18(24)19(25)11-15/h1-12H,(H,26,28)
InChIKeyQAVYOIIVHXDQRF-UHFFFAOYSA-N
MW439.26 g/mol
LogP6.19
Rot. Bonds3

About 2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide

2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide (PubChem CID 5102914) has the molecular formula C22H13BrF2N2O and a molecular weight of 439.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide
PubChem CID5102914
Molecular FormulaC22H13BrF2N2O
Molecular Weight439.26 g/mol
Exact Mass438.02
IUPAC Name2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C22H13BrF2N2O/c23-14-5-3-4-13(10-14)21-12-17(16-6-1-2-7-20(16)27-21)22(28)26-15-8-9-18(24)19(25)11-15/h1-12H,(H,26,28)
InChIKeyQAVYOIIVHXDQRF-UHFFFAOYSA-N
XLogP6.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.26
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
CID 4278826
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
2-(3-bromophenyl)-N-(2,3,4,5,6-pentafluorophenyl)quinoline-4-carboxamide
CID 3535880
2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
CID 4589814
2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
2-(3-bromophenyl)-N-[8-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 4132785
2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3500821
2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 26890699
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
CID 4611633
N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 55868418

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide (CID 5102914) is 2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide?
The InChIKey is QAVYOIIVHXDQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrF2N2O/c23-14-5-3-4-13(10-14)21-12-17(16-6-1-2-7-20(16)27-21)22(28)26-15-8-9-18(24)19(25)11-15/h1-12H,(H,26,28).
What are the key properties of 2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide?
2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide has a molecular weight of 439.26 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5102914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).