N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide

C22H24N4O2S — CID 1130777

IUPACN-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
SMILESCOc1cccc2c(SCC(=O)NN=Cc3ccc(N(C)C)cc3)cc(C)nc12
InChIInChI=1S/C22H24N4O2S/c1-15-12-20(18-6-5-7-19(28-4)22(18)24-15)29-14-21(27)25-23-13-16-8-10-17(11-9-16)26(2)3/h5-13H,14H2,1-4H3,(H,25,27)
InChIKeyWJGLIXPCQNDZTJ-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.86
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide

N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide (PubChem CID 1130777) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
PubChem CID1130777
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
SMILESCOc1cccc2c(SCC(=O)NN=Cc3ccc(N(C)C)cc3)cc(C)nc12
InChIInChI=1S/C22H24N4O2S/c1-15-12-20(18-6-5-7-19(28-4)22(18)24-15)29-14-21(27)25-23-13-16-8-10-17(11-9-16)26(2)3/h5-13H,14H2,1-4H3,(H,25,27)
InChIKeyWJGLIXPCQNDZTJ-UHFFFAOYSA-N
XLogP3.86
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.86
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-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 1130781
2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 5433687
N-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide
CID 3141505
2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 1130746
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 1130729
N-[(E)-(4-bromo-3-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 44538165
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6879027
2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135708600
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 773201
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 6900774
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866780
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide
CID 5087294

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide (CID 1130777) is N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide is COc1cccc2c(SCC(=O)NN=Cc3ccc(N(C)C)cc3)cc(C)nc12.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide?
The InChIKey is WJGLIXPCQNDZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-15-12-20(18-6-5-7-19(28-4)22(18)24-15)29-14-21(27)25-23-13-16-8-10-17(11-9-16)26(2)3/h5-13H,14H2,1-4H3,(H,25,27).
What are the key properties of N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide?
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide has a molecular weight of 408.53 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1130777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).