2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide

C22H15F3N2O — CID 7535347

IUPAC2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C22H15F3N2O/c23-22(24,25)13-26-21(28)18-12-20(27-19-11-4-3-9-17(18)19)16-10-5-7-14-6-1-2-8-15(14)16/h1-12H,13H2,(H,26,28)
InChIKeyNDUNCJIVYKZIHP-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.35
Rot. Bonds3

About 2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide

2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide (PubChem CID 7535347) has the molecular formula C22H15F3N2O and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
PubChem CID7535347
Molecular FormulaC22H15F3N2O
Molecular Weight380.37 g/mol
Exact Mass380.11
IUPAC Name2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C22H15F3N2O/c23-22(24,25)13-26-21(28)18-12-20(27-19-11-4-3-9-17(18)19)16-10-5-7-14-6-1-2-8-15(14)16/h1-12H,13H2,(H,26,28)
InChIKeyNDUNCJIVYKZIHP-UHFFFAOYSA-N
XLogP5.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 4802439
N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 24687149
1-(2-naphthalen-1-ylquinolin-4-yl)ethanone
CID 140742402
2-naphthalen-1-ylquinoline-4-carbonyl chloride
CID 91689267
2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide
CID 60545039
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 4057293
2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353295
N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353296
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
The IUPAC name of 2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide (CID 7535347) is 2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide is O=C(NCC(F)(F)F)c1cc(-c2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
The InChIKey is NDUNCJIVYKZIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O/c23-22(24,25)13-26-21(28)18-12-20(27-19-11-4-3-9-17(18)19)16-10-5-7-14-6-1-2-8-15(14)16/h1-12H,13H2,(H,26,28).
What are the key properties of 2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide is sourced from PubChem (CID 7535347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).