4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide

C17H11F3N2O3 — CID 39893097

IUPAC4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)25-11-7-5-10(6-8-11)22-16(24)13-9-21-14-4-2-1-3-12(14)15(13)23/h1-9H,(H,21,23)(H,22,24)
InChIKeyDXXLLKRLXPXKJW-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.68
Rot. Bonds3

About 4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide

4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide (PubChem CID 39893097) has the molecular formula C17H11F3N2O3 and a molecular weight of 348.28 g/mol. Its IUPAC name is 4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide
PubChem CID39893097
Molecular FormulaC17H11F3N2O3
Molecular Weight348.28 g/mol
Exact Mass348.07
IUPAC Name4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)25-11-7-5-10(6-8-11)22-16(24)13-9-21-14-4-2-1-3-12(14)15(13)23/h1-9H,(H,21,23)(H,22,24)
InChIKeyDXXLLKRLXPXKJW-UHFFFAOYSA-N
XLogP3.68
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4164690
3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 679194
3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 135853398
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040
5-isoquinolin-4-yl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
CID 24812404
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 60543842
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide (CID 39893097) is 4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide?
The InChIKey is DXXLLKRLXPXKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O3/c18-17(19,20)25-11-7-5-10(6-8-11)22-16(24)13-9-21-14-4-2-1-3-12(14)15(13)23/h1-9H,(H,21,23)(H,22,24).
What are the key properties of 4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide?
4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide has a molecular weight of 348.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 39893097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).