2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide

C17H17F3N2O2 — CID 25475206

IUPAC2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)10-4-3-5-11(8-10)21-16(24)13-9-15(23)22-14-7-2-1-6-12(13)14/h1-2,6-7,9-11H,3-5,8H2,(H,21,24)(H,22,23)/t10-,11-/m1/s1
InChIKeyBKLBOCLLSDGZIH-GHMZBOCLSA-N
MW338.33 g/mol
LogP3.38
Rot. Bonds2

About 2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide

2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide (PubChem CID 25475206) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide
PubChem CID25475206
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)10-4-3-5-11(8-10)21-16(24)13-9-15(23)22-14-7-2-1-6-12(13)14/h1-2,6-7,9-11H,3-5,8H2,(H,21,24)(H,22,23)/t10-,11-/m1/s1
InChIKeyBKLBOCLLSDGZIH-GHMZBOCLSA-N
XLogP3.38
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119457477
2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
CID 79687976
trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 124703895
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 10086797
N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 97308523
N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
CID 61038006
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94694746
N-(2-methylpiperidin-3-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 114695048
N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2538265
4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 107794023
2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 31061522
1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 55590613

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide (CID 25475206) is 2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide is O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide?
The InChIKey is BKLBOCLLSDGZIH-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c18-17(19,20)10-4-3-5-11(8-10)21-16(24)13-9-15(23)22-14-7-2-1-6-12(13)14/h1-2,6-7,9-11H,3-5,8H2,(H,21,24)(H,22,23)/t10-,11-/m1/s1.
What are the key properties of 2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide?
2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 25475206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).