N-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide

C21H19F3N2O — CID 138473275

IUPACN-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide
SMILESCC(Cc1ccccc1)(CC(F)(F)F)NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C21H19F3N2O/c1-20(14-21(22,23)24,12-15-7-3-2-4-8-15)26-19(27)17-11-16-9-5-6-10-18(16)25-13-17/h2-11,13H,12,14H2,1H3,(H,26,27)
InChIKeyLURGVLDDNWLNGG-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.92
Rot. Bonds5

About N-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide

N-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide (PubChem CID 138473275) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is N-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide
PubChem CID138473275
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC NameN-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide
SMILESCC(Cc1ccccc1)(CC(F)(F)F)NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C21H19F3N2O/c1-20(14-21(22,23)24,12-15-7-3-2-4-8-15)26-19(27)17-11-16-9-5-6-10-18(16)25-13-17/h2-11,13H,12,14H2,1H3,(H,26,27)
InChIKeyLURGVLDDNWLNGG-UHFFFAOYSA-N
XLogP4.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-N-[(2S)-4,4,4-trifluoro-1-(3-fluorophenyl)-2-methylbutan-2-yl]quinoline-3-carboxamide
CID 155126033
N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide
CID 130405989
N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide
CID 130421223
N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide
CID 130421212
8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide
CID 175312240
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352
2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one
CID 103446227
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
8-chloro-N-(1-cyclobutyloxy-4,4,4-trifluoro-2-methylbutan-2-yl)quinoline-3-carboxamide
CID 142533330
3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid
CID 110489479
2-amino-2-methyl-1-quinolin-3-ylpentan-1-one
CID 116556948

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide?
The IUPAC name of N-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide (CID 138473275) is N-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for N-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide?
The canonical SMILES for N-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide is CC(Cc1ccccc1)(CC(F)(F)F)NC(=O)c1cnc2ccccc2c1.
What is the InChIKey of N-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide?
The InChIKey is LURGVLDDNWLNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c1-20(14-21(22,23)24,12-15-7-3-2-4-8-15)26-19(27)17-11-16-9-5-6-10-18(16)25-13-17/h2-11,13H,12,14H2,1H3,(H,26,27).
What are the key properties of N-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide?
N-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluoro-2-methyl-1-phenylbutan-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 138473275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).