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

C23H16F2N2O — CID 1012287

IUPACN-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(F)c(F)c3)c3ccccc3n2)cc1
InChIInChI=1S/C23H16F2N2O/c1-14-6-8-15(9-7-14)22-13-18(17-4-2-3-5-21(17)27-22)23(28)26-16-10-11-19(24)20(25)12-16/h2-13H,1H3,(H,26,28)
InChIKeySKOZHNXIEJLXMG-UHFFFAOYSA-N
MW374.39 g/mol
LogP5.74
Rot. Bonds3

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

N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 1012287) has the molecular formula C23H16F2N2O and a molecular weight of 374.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID1012287
Molecular FormulaC23H16F2N2O
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC NameN-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(F)c(F)c3)c3ccccc3n2)cc1
InChIInChI=1S/C23H16F2N2O/c1-14-6-8-15(9-7-14)22-13-18(17-4-2-3-5-21(17)27-22)23(28)26-16-10-11-19(24)20(25)12-16/h2-13H,1H3,(H,26,28)
InChIKeySKOZHNXIEJLXMG-UHFFFAOYSA-N
XLogP5.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.39
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide
CID 5102914
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
CID 4589814
N-(4-acetamido-3-chlorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 25470751
N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 55552057
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide (CID 1012287) is N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(F)c3)c3ccccc3n2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is SKOZHNXIEJLXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O/c1-14-6-8-15(9-7-14)22-13-18(17-4-2-3-5-21(17)27-22)23(28)26-16-10-11-19(24)20(25)12-16/h2-13H,1H3,(H,26,28).
What are the key properties of N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1012287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).