3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide

C20H15F3N2O3 — CID 176741228

IUPAC3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)cc(C(C)=O)c(=O)n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H15F3N2O3/c1-11(26)16-10-13-9-12(18(27)24-2)3-8-17(13)25(19(16)28)15-6-4-14(5-7-15)20(21,22)23/h3-10H,1-2H3,(H,24,27)
InChIKeyNIHJAEJWJFRONU-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.57
Rot. Bonds3

About 3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide

3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide (PubChem CID 176741228) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is 3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide
PubChem CID176741228
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)cc(C(C)=O)c(=O)n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H15F3N2O3/c1-11(26)16-10-13-9-12(18(27)24-2)3-8-17(13)25(19(16)28)15-6-4-14(5-7-15)20(21,22)23/h3-10H,1-2H3,(H,24,27)
InChIKeyNIHJAEJWJFRONU-UHFFFAOYSA-N
XLogP3.57
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
CID 157037390
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
2-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide
CID 154591738
3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 147118620
N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide
CID 162680873
5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide
CID 162715922
6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
CID 162680923
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
N,4-dimethyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxamide
CID 157038074
4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide
CID 176741241
3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 7137355
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide?
The IUPAC name of 3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide (CID 176741228) is 3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide.
What is the SMILES notation for 3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide?
The canonical SMILES for 3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide is CNC(=O)c1ccc2c(c1)cc(C(C)=O)c(=O)n2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide?
The InChIKey is NIHJAEJWJFRONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c1-11(26)16-10-13-9-12(18(27)24-2)3-8-17(13)25(19(16)28)15-6-4-14(5-7-15)20(21,22)23/h3-10H,1-2H3,(H,24,27).
What are the key properties of 3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide?
3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-methyl-2-oxo-1-[4-(trifluoromethyl)phenyl]quinoline-6-carboxamide is sourced from PubChem (CID 176741228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).