6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide

C20H16F4N2O2 — CID 53245935

IUPAC6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)c(C(F)(F)F)c1
InChIInChI=1S/C20H16F4N2O2/c1-10(2)11-3-5-17(15(7-11)20(22,23)24)26-19(28)14-9-25-16-6-4-12(21)8-13(16)18(14)27/h3-10H,1-2H3,(H,25,27)(H,26,28)
InChIKeyQXJMRXYJNJWHHO-UHFFFAOYSA-N
MW392.35 g/mol
LogP5.06
Rot. Bonds3

About 6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide

6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide (PubChem CID 53245935) has the molecular formula C20H16F4N2O2 and a molecular weight of 392.35 g/mol. Its IUPAC name is 6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide
PubChem CID53245935
Molecular FormulaC20H16F4N2O2
Molecular Weight392.35 g/mol
Exact Mass392.11
IUPAC Name6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)c(C(F)(F)F)c1
InChIInChI=1S/C20H16F4N2O2/c1-10(2)11-3-5-17(15(7-11)20(22,23)24)26-19(28)14-9-25-16-6-4-12(21)8-13(16)18(14)27/h3-10H,1-2H3,(H,25,27)(H,26,28)
InChIKeyQXJMRXYJNJWHHO-UHFFFAOYSA-N
XLogP5.06
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.35
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-6-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 46194557
N-[4-(3,3-dimethylpyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 53247008
N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849741
N-[4-(7-methyl-7-azoniabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 163549023
N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 30131667
methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate
CID 71706440
N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849718
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727
6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 17028163
4-oxo-N-[5-phenylmethoxy-4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide
CID 53246296

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide (CID 53245935) is 6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide is CC(C)c1ccc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)c(C(F)(F)F)c1.
What is the InChIKey of 6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide?
The InChIKey is QXJMRXYJNJWHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O2/c1-10(2)11-3-5-17(15(7-11)20(22,23)24)26-19(28)14-9-25-16-6-4-12(21)8-13(16)18(14)27/h3-10H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide?
6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide has a molecular weight of 392.35 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 53245935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).