4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide

C19H13F3N2O3 — CID 54555340

IUPAC4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=CC(NC(=O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O)c1ccccc1
InChIInChI=1S/C19H13F3N2O3/c20-19(21,22)12-6-7-13-15(8-12)23-9-14(17(13)26)18(27)24-16(10-25)11-4-2-1-3-5-11/h1-10,16H,(H,23,26)(H,24,27)
InChIKeyRNHLFVNRKVONMV-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.22
Rot. Bonds4

About 4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide

4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 54555340) has the molecular formula C19H13F3N2O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID54555340
Molecular FormulaC19H13F3N2O3
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC Name4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=CC(NC(=O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O)c1ccccc1
InChIInChI=1S/C19H13F3N2O3/c20-19(21,22)12-6-7-13-15(8-12)23-9-14(17(13)26)18(27)24-16(10-25)11-4-2-1-3-5-11/h1-10,16H,(H,23,26)(H,24,27)
InChIKeyRNHLFVNRKVONMV-UHFFFAOYSA-N
XLogP3.22
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-oxo-3-[[2-[[4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]-2-phenylacetyl]amino]azetidine-1-sulfonic acid
CID 21244513
methyl 2-oxo-2-[6-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 11818094
N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133766
4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 7062046
2-amino-2-[6-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 115073427
methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 115050494
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 30463952
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 59381074
methyl 3-oxo-3-[6-(trifluoromethyl)-1H-indol-3-yl]propanoate
CID 82667620
N-(4-methyl-4-phenylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 71884766
4-hydroxy-N-(2-oxo-1-phenylethyl)benzamide
CID 19816469
4-oxo-1H-quinoline-3,7-dicarbohydrazide
CID 43839929

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 54555340) is 4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide is O=CC(NC(=O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O)c1ccccc1.
What is the InChIKey of 4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is RNHLFVNRKVONMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3/c20-19(21,22)12-6-7-13-15(8-12)23-9-14(17(13)26)18(27)24-16(10-25)11-4-2-1-3-5-11/h1-10,16H,(H,23,26)(H,24,27).
What are the key properties of 4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide?
4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 374.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-oxo-1-phenylethyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54555340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).