N'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide

C17H12F3N3O2S — CID 142129835

IUPACN'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide
SMILESO=C(NNSc1ccccc1OC(F)(F)F)c1cnc2ccccc2c1
InChIInChI=1S/C17H12F3N3O2S/c18-17(19,20)25-14-7-3-4-8-15(14)26-23-22-16(24)12-9-11-5-1-2-6-13(11)21-10-12/h1-10,23H,(H,22,24)
InChIKeyMYORVKQXCXQQAM-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.08
Rot. Bonds5

About N'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide

N'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide (PubChem CID 142129835) has the molecular formula C17H12F3N3O2S and a molecular weight of 379.36 g/mol. Its IUPAC name is N'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide
PubChem CID142129835
Molecular FormulaC17H12F3N3O2S
Molecular Weight379.36 g/mol
Exact Mass379.06
IUPAC NameN'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide
SMILESO=C(NNSc1ccccc1OC(F)(F)F)c1cnc2ccccc2c1
InChIInChI=1S/C17H12F3N3O2S/c18-17(19,20)25-14-7-3-4-8-15(14)26-23-22-16(24)12-9-11-5-1-2-6-13(11)21-10-12/h1-10,23H,(H,22,24)
InChIKeyMYORVKQXCXQQAM-UHFFFAOYSA-N
XLogP4.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
N-quinoxalin-2-ylquinoline-3-carboxamide
CID 11522282
N-(4-hydroxyphenyl)quinoline-3-carboxamide
CID 110489513
4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid
CID 71515447
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
2,2,3,3-tetrafluoro-N-quinolin-3-ylpropanamide
CID 103732344
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 168925353
quinoline-3-carboxylate
CID 4608508
N-(2-iodophenyl)quinoline-3-carboxamide
CID 139568501
N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820
3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid
CID 110489479

Frequently Asked Questions

What is the IUPAC name of N'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide?
The IUPAC name of N'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide (CID 142129835) is N'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide.
What is the SMILES notation for N'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide?
The canonical SMILES for N'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide is O=C(NNSc1ccccc1OC(F)(F)F)c1cnc2ccccc2c1.
What is the InChIKey of N'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide?
The InChIKey is MYORVKQXCXQQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2S/c18-17(19,20)25-14-7-3-4-8-15(14)26-23-22-16(24)12-9-11-5-1-2-6-13(11)21-10-12/h1-10,23H,(H,22,24).
What are the key properties of N'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide?
N'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide has a molecular weight of 379.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(trifluoromethoxy)phenyl]sulfanylquinoline-3-carbohydrazide is sourced from PubChem (CID 142129835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).