2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide

C17H11F3N2O2 — CID 17391109

IUPAC2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)10-5-7-11(8-6-10)21-16(24)13-9-15(23)22-14-4-2-1-3-12(13)14/h1-9H,(H,21,24)(H,22,23)
InChIKeyYZXYDOVNOASJJJ-UHFFFAOYSA-N
MW332.28 g/mol
LogP3.80
Rot. Bonds2

About 2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide

2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide (PubChem CID 17391109) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide
PubChem CID17391109
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)10-5-7-11(8-6-10)21-16(24)13-9-15(23)22-14-4-2-1-3-12(13)14/h1-9H,(H,21,24)(H,22,23)
InChIKeyYZXYDOVNOASJJJ-UHFFFAOYSA-N
XLogP3.80
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 8840546
N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2538265
methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate
CID 94650278
2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide
CID 17451589
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 32943769
N-(2,5-difluorophenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7901301
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
2-oxo-N-(2-phenylphenyl)-1H-quinoline-4-carboxamide
CID 2540380
N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529889
4-(2-oxo-1H-quinoline-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 166218060

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide (CID 17391109) is 2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide?
The InChIKey is YZXYDOVNOASJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-17(19,20)10-5-7-11(8-6-10)21-16(24)13-9-15(23)22-14-4-2-1-3-12(13)14/h1-9H,(H,21,24)(H,22,23).
What are the key properties of 2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide?
2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide has a molecular weight of 332.28 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 17391109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).