N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide

C18H14FN3O2S — CID 7780075

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H14FN3O2S/c19-13-6-2-4-8-16(13)25-11-17(23)21-22-18(24)15-10-9-12-5-1-3-7-14(12)20-15/h1-10H,11H2,(H,21,23)(H,22,24)
InChIKeyVFFULZZAMJCQAN-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.93
Rot. Bonds4

About N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide (PubChem CID 7780075) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide
PubChem CID7780075
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H14FN3O2S/c19-13-6-2-4-8-16(13)25-11-17(23)21-22-18(24)15-10-9-12-5-1-3-7-14(12)20-15/h1-10H,11H2,(H,21,23)(H,22,24)
InChIKeyVFFULZZAMJCQAN-UHFFFAOYSA-N
XLogP2.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.93
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

N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide
CID 35064538
N'-butanoylquinoline-2-carbohydrazide
CID 29266790
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 9428837
4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 2591603
1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea
CID 9468669
N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide
CID 27006547
N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065860
N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide
CID 29266373
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
N-(3-methylphenyl)-2-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]sulfanylacetamide
CID 29266626
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
CID 9418013

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide (CID 7780075) is N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide is O=C(CSc1ccccc1F)NNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide?
The InChIKey is VFFULZZAMJCQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-13-6-2-4-8-16(13)25-11-17(23)21-22-18(24)15-10-9-12-5-1-3-7-14(12)20-15/h1-10H,11H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide has a molecular weight of 355.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 7780075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).