2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide

C13H13F3N4O — CID 62238179

IUPAC2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cc(NN)nc2ccccc12
InChIInChI=1S/C13H13F3N4O/c1-20(7-13(14,15)16)12(21)9-6-11(19-17)18-10-5-3-2-4-8(9)10/h2-6H,7,17H2,1H3,(H,18,19)
InChIKeyVJOWNHYEMLCDKZ-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.15
Rot. Bonds3

About 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide

2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide (PubChem CID 62238179) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
PubChem CID62238179
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cc(NN)nc2ccccc12
InChIInChI=1S/C13H13F3N4O/c1-20(7-13(14,15)16)12(21)9-6-11(19-17)18-10-5-3-2-4-8(9)10/h2-6H,7,17H2,1H3,(H,18,19)
InChIKeyVJOWNHYEMLCDKZ-UHFFFAOYSA-N
XLogP2.15
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
CID 15987804
3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid diethylamide
CID 11394108
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11485023
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid diethylamide
CID 11739328
1-Ethyl-3-[(2-propylquinoline-4-carbonyl)amino]thiourea
CID 1768106
5-(Cyclopropylamino)-9-fluorobenzo[c]-2,6-naphthyridin-1(2H)-one
CID 25195487
2-Aminoquinoline-4-carboxamide
CID 230770
N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
CID 1470918
N-cyclopentyl-2-[3-(trifluoromethyl)anilino]quinoline-4-carboxamide
CID 5079857
N-cyclohexyl-2-{[3-(trifluoromethyl)phenyl]amino}quinoline-4-carboxamide
CID 5085488
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid diethylamide
CID 11461561
2-[(2-ethylphenyl)amino]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 15990822

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
The IUPAC name of 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide (CID 62238179) is 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide is CN(CC(F)(F)F)C(=O)c1cc(NN)nc2ccccc12.
What is the InChIKey of 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
The InChIKey is VJOWNHYEMLCDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-20(7-13(14,15)16)12(21)9-6-11(19-17)18-10-5-3-2-4-8(9)10/h2-6H,7,17H2,1H3,(H,18,19).
What are the key properties of 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide is sourced from PubChem (CID 62238179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).