4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide

C13H13F3N4O — CID 43826491

IUPAC4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide
SMILESCN(C)c1c(C(=O)NN)cnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H13F3N4O/c1-20(2)11-7-4-3-5-9(13(14,15)16)10(7)18-6-8(11)12(21)19-17/h3-6H,17H2,1-2H3,(H,19,21)
InChIKeyAKZXWPWEWCYPQM-UHFFFAOYSA-N
MW298.27 g/mol
LogP1.92
Rot. Bonds2

About 4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide

4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide (PubChem CID 43826491) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide.

Molecular Properties

Compound Name4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide
PubChem CID43826491
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide
SMILESCN(C)c1c(C(=O)NN)cnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H13F3N4O/c1-20(2)11-7-4-3-5-9(13(14,15)16)10(7)18-6-8(11)12(21)19-17/h3-6H,17H2,1-2H3,(H,19,21)
InChIKeyAKZXWPWEWCYPQM-UHFFFAOYSA-N
XLogP1.92
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 66914315
4-(4-methylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 7749059
N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 90749427
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194
4-amino-8-ethylquinoline-3-carbohydrazide
CID 54772803
ethyl 4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylate
CID 1191908
4-(4-benzylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 7137753
N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 66914477
N-(4-hydrazinyl-3-methylquinolin-8-yl)-2-(trifluoromethyl)benzamide
CID 19592320
4-methyl-8-(trifluoromethyl)quinolin-3-amine
CID 105483666
8-(3,5-dichlorophenyl)-4-(dimethylamino)quinoline-3-carboxylic acid;hydrochloride
CID 142605167
5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
CID 82528028

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide?
The IUPAC name of 4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide (CID 43826491) is 4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide.
What is the SMILES notation for 4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide?
The canonical SMILES for 4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide is CN(C)c1c(C(=O)NN)cnc2c(C(F)(F)F)cccc12.
What is the InChIKey of 4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide?
The InChIKey is AKZXWPWEWCYPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-20(2)11-7-4-3-5-9(13(14,15)16)10(7)18-6-8(11)12(21)19-17/h3-6H,17H2,1-2H3,(H,19,21).
What are the key properties of 4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide?
4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide has a molecular weight of 298.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide is sourced from PubChem (CID 43826491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).