N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide

C22H23N3O3S — CID 5445937

IUPACN-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCOc1cccc(/C=N\NC(=O)CSc2cc(C)c3cc(C)ccc3n2)c1OC
InChIInChI=1S/C22H23N3O3S/c1-14-8-9-18-17(10-14)15(2)11-21(24-18)29-13-20(26)25-23-12-16-6-5-7-19(27-3)22(16)28-4/h5-12H,13H2,1-4H3,(H,25,26)/b23-12-
InChIKeyPMNCXQOXXSDHGG-FMCGGJTJSA-N
MW409.51 g/mol
LogP4.11
Rot. Bonds7

About N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide

N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 5445937) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide
PubChem CID5445937
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCOc1cccc(/C=N\NC(=O)CSc2cc(C)c3cc(C)ccc3n2)c1OC
InChIInChI=1S/C22H23N3O3S/c1-14-8-9-18-17(10-14)15(2)11-21(24-18)29-13-20(26)25-23-12-16-6-5-7-19(27-3)22(16)28-4/h5-12H,13H2,1-4H3,(H,25,26)/b23-12-
InChIKeyPMNCXQOXXSDHGG-FMCGGJTJSA-N
XLogP4.11
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 5445926
4-[[[2-(4,6-dimethylquinolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 1130711
4-[(Z)-[[2-(4,6-dimethylquinolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
CID 7452917
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1387858
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide
CID 3141458
N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
CID 4270382
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 5438923
N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
CID 1376615
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 1354661
2-[2-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126243651
2-[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 6229388
[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474234

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide (CID 5445937) is N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide is COc1cccc(/C=N\NC(=O)CSc2cc(C)c3cc(C)ccc3n2)c1OC.
What is the InChIKey of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is PMNCXQOXXSDHGG-FMCGGJTJSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-14-8-9-18-17(10-14)15(2)11-21(24-18)29-13-20(26)25-23-12-16-6-5-7-19(27-3)22(16)28-4/h5-12H,13H2,1-4H3,(H,25,26)/b23-12-.
What are the key properties of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide?
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 409.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 5445937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).