N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide

C22H17N3O2S — CID 35064538

IUPACN'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide
SMILESO=C(CSc1ccc2ccccc2c1)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C22H17N3O2S/c26-21(14-28-18-11-9-15-5-1-2-7-17(15)13-18)24-25-22(27)20-12-10-16-6-3-4-8-19(16)23-20/h1-13H,14H2,(H,24,26)(H,25,27)
InChIKeyYSXDIUSIRUGVNO-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.94
Rot. Bonds4

About N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide

N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide (PubChem CID 35064538) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide
PubChem CID35064538
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC NameN'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide
SMILESO=C(CSc1ccc2ccccc2c1)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C22H17N3O2S/c26-21(14-28-18-11-9-15-5-1-2-7-17(15)13-18)24-25-22(27)20-12-10-16-6-3-4-8-19(16)23-20/h1-13H,14H2,(H,24,26)(H,25,27)
InChIKeyYSXDIUSIRUGVNO-UHFFFAOYSA-N
XLogP3.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.94
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-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide
CID 7780075
N'-butanoylquinoline-2-carbohydrazide
CID 29266790
N-(3-methylphenyl)-2-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]sulfanylacetamide
CID 29266626
N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide
CID 29266373
N'-[2-(1,2-benzoxazol-3-yl)acetyl]quinoline-2-carbohydrazide
CID 35069552
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891
2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide
CID 2358893
N'-(quinoline-2-carbonyl)-1,3-oxazole-4-carbohydrazide
CID 166194916
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide
CID 29266482
2-naphthalen-2-ylsulfanyl-N-pyridin-2-ylacetamide
CID 39922635
N'-(cyclopropanecarbonyl)quinoline-2-carbohydrazide
CID 26798961
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide?
The IUPAC name of N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide (CID 35064538) is N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide.
What is the SMILES notation for N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide?
The canonical SMILES for N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide is O=C(CSc1ccc2ccccc2c1)NNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide?
The InChIKey is YSXDIUSIRUGVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-21(14-28-18-11-9-15-5-1-2-7-17(15)13-18)24-25-22(27)20-12-10-16-6-3-4-8-19(16)23-20/h1-13H,14H2,(H,24,26)(H,25,27).
What are the key properties of N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide?
N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide has a molecular weight of 387.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 35064538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).