2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide

C22H24ClN3O2 — CID 133170800

IUPAC2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
SMILESCC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3ccccc3Cl)cc21
InChIInChI=1S/C22H24ClN3O2/c1-15-12-22(2,3)26(4)19-10-9-16(11-17(15)19)13-24-25-21(27)14-28-20-8-6-5-7-18(20)23/h5-13H,14H2,1-4H3,(H,25,27)/b24-13-
InChIKeyJKMZVYIRGLGIJQ-CFRMEGHHSA-N
MW397.91 g/mol
LogP4.50
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide

2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide (PubChem CID 133170800) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
PubChem CID133170800
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
SMILESCC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3ccccc3Cl)cc21
InChIInChI=1S/C22H24ClN3O2/c1-15-12-22(2,3)26(4)19-10-9-16(11-17(15)19)13-24-25-21(27)14-28-20-8-6-5-7-18(20)23/h5-13H,14H2,1-4H3,(H,25,27)/b24-13-
InChIKeyJKMZVYIRGLGIJQ-CFRMEGHHSA-N
XLogP4.50
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.50
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-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50866069
2-(2,4-dichlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]acetamide
CID 133169976
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50864873
2-(2-chlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide
CID 50867784
2-(2-chlorophenoxy)-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]acetamide
CID 133170193
N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 133170764
2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 905230
N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50866834
3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50864186
2-(2-chlorophenoxy)-N-[(E)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
CID 50860319
2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide
CID 8979030
N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide
CID 126019698

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide (CID 133170800) is 2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide is CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3ccccc3Cl)cc21.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide?
The InChIKey is JKMZVYIRGLGIJQ-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15-12-22(2,3)26(4)19-10-9-16(11-17(15)19)13-24-25-21(27)14-28-20-8-6-5-7-18(20)23/h5-13H,14H2,1-4H3,(H,25,27)/b24-13-.
What are the key properties of 2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide?
2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide has a molecular weight of 397.91 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide is sourced from PubChem (CID 133170800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).