N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide

C19H17N3O2S — CID 1376615

IUPACN-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
SMILESCOc1ccccc1C=NNC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C19H17N3O2S/c1-24-17-9-5-3-7-15(17)12-20-22-18(23)13-25-19-11-10-14-6-2-4-8-16(14)21-19/h2-12H,13H2,1H3,(H,22,23)
InChIKeyJYWMWDRLUANMPX-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.49
Rot. Bonds6

About N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide

N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide (PubChem CID 1376615) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
PubChem CID1376615
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
SMILESCOc1ccccc1C=NNC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C19H17N3O2S/c1-24-17-9-5-3-7-15(17)12-20-22-18(23)13-25-19-11-10-14-6-2-4-8-16(14)21-19/h2-12H,13H2,1H3,(H,22,23)
InChIKeyJYWMWDRLUANMPX-UHFFFAOYSA-N
XLogP3.49
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
CID 1043414
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6864675
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 5445926
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435358
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1365966
2-(4-hydroxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 110515533
N-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 70689682
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 135716269
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 14546167
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide
CID 5445937
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6865063
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 5438923

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide (CID 1376615) is N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide is COc1ccccc1C=NNC(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is JYWMWDRLUANMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-24-17-9-5-3-7-15(17)12-20-22-18(23)13-25-19-11-10-14-6-2-4-8-16(14)21-19/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide?
N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 351.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 1376615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).