N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C20H17F4N3O3 — CID 60621386

IUPACN-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H17F4N3O3/c1-10-14(21)6-11(18(29)25-9-20(22,23)24)7-16(10)27-19(30)13-8-17(28)26-15-5-3-2-4-12(13)15/h2-7,13H,8-9H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyHJDHFENBABHGFV-UHFFFAOYSA-N
MW423.37 g/mol
LogP3.49
Rot. Bonds4

About N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 60621386) has the molecular formula C20H17F4N3O3 and a molecular weight of 423.37 g/mol. Its IUPAC name is N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID60621386
Molecular FormulaC20H17F4N3O3
Molecular Weight423.37 g/mol
Exact Mass423.12
IUPAC NameN-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H17F4N3O3/c1-10-14(21)6-11(18(29)25-9-20(22,23)24)7-16(10)27-19(30)13-8-17(28)26-15-5-3-2-4-12(13)15/h2-7,13H,8-9H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyHJDHFENBABHGFV-UHFFFAOYSA-N
XLogP3.49
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42930651
N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46696236
2-oxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46696496
(2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 95296980
2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702917
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
(4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26078441
(4R)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51956671
N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42884361
N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134000047
N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46418891
(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 60621386) is N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)C1CC(=O)Nc2ccccc21.
What is the InChIKey of N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is HJDHFENBABHGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O3/c1-10-14(21)6-11(18(29)25-9-20(22,23)24)7-16(10)27-19(30)13-8-17(28)26-15-5-3-2-4-12(13)15/h2-7,13H,8-9H2,1H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 423.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 60621386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).