5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide

C19H16ClN3O3S — CID 7754724

IUPAC5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C19H16ClN3O3S/c1-26-16-8-7-13(20)10-14(16)19(25)23-22-17(24)11-27-18-9-6-12-4-2-3-5-15(12)21-18/h2-10H,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyUVSZCEBREJZVRT-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.45
Rot. Bonds5

About 5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide

5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide (PubChem CID 7754724) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide
PubChem CID7754724
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C19H16ClN3O3S/c1-26-16-8-7-13(20)10-14(16)19(25)23-22-17(24)11-27-18-9-6-12-4-2-3-5-15(12)21-18/h2-10H,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyUVSZCEBREJZVRT-UHFFFAOYSA-N
XLogP3.45
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755341
N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide
CID 7784836
5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide
CID 9472212
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 2125835
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 16540331
N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide
CID 9278562
N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 46302557
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
5-chloro-2-methoxy-N'-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 16539064
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 51214703

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide?
The IUPAC name of 5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide (CID 7754724) is 5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide.
What is the SMILES notation for 5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide?
The canonical SMILES for 5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of 5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide?
The InChIKey is UVSZCEBREJZVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-26-16-8-7-13(20)10-14(16)19(25)23-22-17(24)11-27-18-9-6-12-4-2-3-5-15(12)21-18/h2-10H,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide?
5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide has a molecular weight of 401.88 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide is sourced from PubChem (CID 7754724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).