N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide

C22H14ClFN2O — CID 3131336

IUPACN-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C22H14ClFN2O/c23-15-7-11-17(12-8-15)25-22(27)19-13-21(14-5-9-16(24)10-6-14)26-20-4-2-1-3-18(19)20/h1-13H,(H,25,27)
InChIKeyPOIPEJIXRWNGNH-UHFFFAOYSA-N
MW376.82 g/mol
LogP5.95
Rot. Bonds3

About N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide

N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide (PubChem CID 3131336) has the molecular formula C22H14ClFN2O and a molecular weight of 376.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
PubChem CID3131336
Molecular FormulaC22H14ClFN2O
Molecular Weight376.82 g/mol
Exact Mass376.08
IUPAC NameN-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C22H14ClFN2O/c23-15-7-11-17(12-8-15)25-22(27)19-13-21(14-5-9-16(24)10-6-14)26-20-4-2-1-3-18(19)20/h1-13H,(H,25,27)
InChIKeyPOIPEJIXRWNGNH-UHFFFAOYSA-N
XLogP5.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.82
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
CID 4589814
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5161024
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727
1-(4-chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 3005269
2-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 18206028

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide (CID 3131336) is N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide?
The InChIKey is POIPEJIXRWNGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN2O/c23-15-7-11-17(12-8-15)25-22(27)19-13-21(14-5-9-16(24)10-6-14)26-20-4-2-1-3-18(19)20/h1-13H,(H,25,27).
What are the key properties of N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide?
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide has a molecular weight of 376.82 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3131336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).