N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide

C25H31N3O2 — CID 50866666

IUPACN-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide
SMILESCCN1c2cc(C)c(/C=N/NC(=O)Cc3cccc(OC)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H31N3O2/c1-7-28-23-11-17(2)20(14-22(23)18(3)15-25(28,4)5)16-26-27-24(29)13-19-9-8-10-21(12-19)30-6/h8-12,14-16H,7,13H2,1-6H3,(H,27,29)/b26-16+
InChIKeyHXJYBUWQMSHQBE-WGOQTCKBSA-N
MW405.54 g/mol
LogP4.72
Rot. Bonds6

About N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide

N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide (PubChem CID 50866666) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide
PubChem CID50866666
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide
SMILESCCN1c2cc(C)c(/C=N/NC(=O)Cc3cccc(OC)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H31N3O2/c1-7-28-23-11-17(2)20(14-22(23)18(3)15-25(28,4)5)16-26-27-24(29)13-19-9-8-10-21(12-19)30-6/h8-12,14-16H,7,13H2,1-6H3,(H,27,29)/b26-16+
InChIKeyHXJYBUWQMSHQBE-WGOQTCKBSA-N
XLogP4.72
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 50867457
N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 50866711
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide
CID 50866726
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 50866777
N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 50866775
2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide
CID 50866774
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 50866424
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide
CID 50866217
2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50866513
N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 50867546
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 133170086
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 3525376

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide (CID 50866666) is N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide is CCN1c2cc(C)c(/C=N/NC(=O)Cc3cccc(OC)c3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide?
The InChIKey is HXJYBUWQMSHQBE-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-7-28-23-11-17(2)20(14-22(23)18(3)15-25(28,4)5)16-26-27-24(29)13-19-9-8-10-21(12-19)30-6/h8-12,14-16H,7,13H2,1-6H3,(H,27,29)/b26-16+.
What are the key properties of N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide?
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide has a molecular weight of 405.54 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 50866666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).