N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide

C20H19N3O3S — CID 135673666

IUPACN-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CSc2cccc3cccnc23)c(O)c1
InChIInChI=1S/C20H19N3O3S/c1-13(16-9-8-15(26-2)11-17(16)24)22-23-19(25)12-27-18-7-3-5-14-6-4-10-21-20(14)18/h3-11,24H,12H2,1-2H3,(H,23,25)/b22-13+
InChIKeyXWDJWGPSYOVIMF-LPYMAVHISA-N
MW381.46 g/mol
LogP3.58
Rot. Bonds6

About N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide

N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide (PubChem CID 135673666) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide
PubChem CID135673666
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CSc2cccc3cccnc23)c(O)c1
InChIInChI=1S/C20H19N3O3S/c1-13(16-9-8-15(26-2)11-17(16)24)22-23-19(25)12-27-18-7-3-5-14-6-4-10-21-20(14)18/h3-11,24H,12H2,1-2H3,(H,23,25)/b22-13+
InChIKeyXWDJWGPSYOVIMF-LPYMAVHISA-N
XLogP3.58
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 135673668
N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 136690202
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 4169698
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435358
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135767611
2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135557679
N-[(6-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide
CID 1035334
2-hydroxy-4-methoxy-N-[(Z)-1-naphthalen-1-ylethylideneamino]benzamide
CID 126397741
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136911345
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135716717
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 1240020
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136863963

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide (CID 135673666) is N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide is COc1ccc(/C(C)=N/NC(=O)CSc2cccc3cccnc23)c(O)c1.
What is the InChIKey of N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is XWDJWGPSYOVIMF-LPYMAVHISA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13(16-9-8-15(26-2)11-17(16)24)22-23-19(25)12-27-18-7-3-5-14-6-4-10-21-20(14)18/h3-11,24H,12H2,1-2H3,(H,23,25)/b22-13+.
What are the key properties of N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide?
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 381.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 135673666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).