N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C19H17F4N3O2 — CID 46436373

IUPACN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CC(=O)Nc3cc(F)ccc32)c(C(F)(F)F)c1
InChIInChI=1S/C19H17F4N3O2/c1-26(2)11-4-6-15(14(8-11)19(21,22)23)25-18(28)13-9-17(27)24-16-7-10(20)3-5-12(13)16/h3-8,13H,9H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJUBUTPREWHMXTB-UHFFFAOYSA-N
MW395.36 g/mol
LogP3.97
Rot. Bonds3

About N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 46436373) has the molecular formula C19H17F4N3O2 and a molecular weight of 395.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID46436373
Molecular FormulaC19H17F4N3O2
Molecular Weight395.36 g/mol
Exact Mass395.13
IUPAC NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CC(=O)Nc3cc(F)ccc32)c(C(F)(F)F)c1
InChIInChI=1S/C19H17F4N3O2/c1-26(2)11-4-6-15(14(8-11)19(21,22)23)25-18(28)13-9-17(27)24-16-7-10(20)3-5-12(13)16/h3-8,13H,9H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJUBUTPREWHMXTB-UHFFFAOYSA-N
XLogP3.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
7-fluoro-N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 131950953
N-[2-(2-amino-2-oxoethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86929203
N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46698498
7-fluoro-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 24606225
methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate
CID 46535404
N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154862858
7-fluoro-N-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 146127538
N-(4-tert-butylsulfanylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 166183509
N-(2,2-dimethyl-4-oxo-3H-chromen-8-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154850187
7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86920168
(4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 34952145

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 46436373) is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CN(C)c1ccc(NC(=O)C2CC(=O)Nc3cc(F)ccc32)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is JUBUTPREWHMXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O2/c1-26(2)11-4-6-15(14(8-11)19(21,22)23)25-18(28)13-9-17(27)24-16-7-10(20)3-5-12(13)16/h3-8,13H,9H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 395.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 46436373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).