2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide

C22H20F3N3O3 — CID 55789686

IUPAC2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCCC(C(F)(F)F)C1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H20F3N3O3/c23-22(24,25)14-6-3-5-13(11-14)20(29)27-28-21(30)16-12-18(19-9-4-10-31-19)26-17-8-2-1-7-15(16)17/h1-2,4,7-10,12-14H,3,5-6,11H2,(H,27,29)(H,28,30)
InChIKeyXGTDIJJFAZUAST-UHFFFAOYSA-N
MW431.41 g/mol
LogP4.62
Rot. Bonds3

About 2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide

2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide (PubChem CID 55789686) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide
PubChem CID55789686
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC Name2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCCC(C(F)(F)F)C1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H20F3N3O3/c23-22(24,25)14-6-3-5-13(11-14)20(29)27-28-21(30)16-12-18(19-9-4-10-31-19)26-17-8-2-1-7-15(16)17/h1-2,4,7-10,12-14H,3,5-6,11H2,(H,27,29)(H,28,30)
InChIKeyXGTDIJJFAZUAST-UHFFFAOYSA-N
XLogP4.62
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-N'-(1-propylsulfonylpiperidine-3-carbonyl)quinoline-4-carbohydrazide
CID 55913391
2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide
CID 55635239
1-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 8742136
N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(furan-2-yl)quinoline-4-carbohydrazide
CID 6598868
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N'-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)quinoline-4-carbohydrazide
CID 2469170
[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 41308568
2-(furan-2-yl)-N'-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)quinoline-4-carbohydrazide
CID 55789537
(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
CID 119375996
N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2425720
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 134029227

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide?
The IUPAC name of 2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide (CID 55789686) is 2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide?
The canonical SMILES for 2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide is O=C(NNC(=O)C1CCCC(C(F)(F)F)C1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide?
The InChIKey is XGTDIJJFAZUAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c23-22(24,25)14-6-3-5-13(11-14)20(29)27-28-21(30)16-12-18(19-9-4-10-31-19)26-17-8-2-1-7-15(16)17/h1-2,4,7-10,12-14H,3,5-6,11H2,(H,27,29)(H,28,30).
What are the key properties of 2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide?
2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide has a molecular weight of 431.41 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]quinoline-4-carbohydrazide is sourced from PubChem (CID 55789686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).