2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide

C24H27Cl2N3O3 — CID 50867736

IUPAC2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide
SMILESCCN1c2cc(OC)c(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)cc2C(C)=CC1(C)C
InChIInChI=1S/C24H27Cl2N3O3/c1-6-29-20-11-22(31-5)16(9-18(20)15(2)12-24(29,3)4)13-27-28-23(30)14-32-21-8-7-17(25)10-19(21)26/h7-13H,6,14H2,1-5H3,(H,28,30)/b27-13+
InChIKeyNQMTYQMCSOZKBG-UVHMKAGCSA-N
MW476.40 g/mol
LogP5.55
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide

2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide (PubChem CID 50867736) has the molecular formula C24H27Cl2N3O3 and a molecular weight of 476.40 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide
PubChem CID50867736
Molecular FormulaC24H27Cl2N3O3
Molecular Weight476.40 g/mol
Exact Mass475.14
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide
SMILESCCN1c2cc(OC)c(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)cc2C(C)=CC1(C)C
InChIInChI=1S/C24H27Cl2N3O3/c1-6-29-20-11-22(31-5)16(9-18(20)15(2)12-24(29,3)4)13-27-28-23(30)14-32-21-8-7-17(25)10-19(21)26/h7-13H,6,14H2,1-5H3,(H,28,30)/b27-13+
InChIKeyNQMTYQMCSOZKBG-UVHMKAGCSA-N
XLogP5.55
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.40
LogP ≤ 55.55
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'}

Analyze 2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide with MolForge

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Related Compounds

2-(2-chlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide
CID 50867784
N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 50867701
2-(2,4-dibromophenoxy)-N-[(E)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide
CID 50869701
N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50866834
2-(2,4-dichlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]acetamide
CID 133169976
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide
CID 50867785
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1244687
N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868209
2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide
CID 50869490
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 50866777
2-(2-chlorophenoxy)-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]acetamide
CID 133170193
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide (CID 50867736) is 2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide is CCN1c2cc(OC)c(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)cc2C(C)=CC1(C)C.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide?
The InChIKey is NQMTYQMCSOZKBG-UVHMKAGCSA-N. The full InChI is InChI=1S/C24H27Cl2N3O3/c1-6-29-20-11-22(31-5)16(9-18(20)15(2)12-24(29,3)4)13-27-28-23(30)14-32-21-8-7-17(25)10-19(21)26/h7-13H,6,14H2,1-5H3,(H,28,30)/b27-13+.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide?
2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide has a molecular weight of 476.40 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide is sourced from PubChem (CID 50867736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).