N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide

C26H26ClN3O2 — CID 50864873

IUPACN-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)COc3cccc4ccccc34)cc21
InChIInChI=1S/C26H26ClN3O2/c1-17-14-26(2,3)30(4)23-13-22(27)19(12-21(17)23)15-28-29-25(31)16-32-24-11-7-9-18-8-5-6-10-20(18)24/h5-15H,16H2,1-4H3,(H,29,31)/b28-15+
InChIKeyBABKUJYWFDUGKO-RWPZCVJISA-N
MW447.97 g/mol
LogP5.65
Rot. Bonds5

About N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide

N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide (PubChem CID 50864873) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
PubChem CID50864873
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC NameN-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)COc3cccc4ccccc34)cc21
InChIInChI=1S/C26H26ClN3O2/c1-17-14-26(2,3)30(4)23-13-22(27)19(12-21(17)23)15-28-29-25(31)16-32-24-11-7-9-18-8-5-6-10-20(18)24/h5-15H,16H2,1-4H3,(H,29,31)/b28-15+
InChIKeyBABKUJYWFDUGKO-RWPZCVJISA-N
XLogP5.65
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.65
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'}

Analyze N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide with MolForge

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Related Compounds

N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50866834
N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide
CID 50864943
2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
CID 133170800
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-methoxybenzamide
CID 133170243
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50866069
2-(2-chlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide
CID 50867784
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
CID 50864905
2-(2-chlorophenoxy)-N-[(Z)-(2,2,4,7-tetramethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]acetamide
CID 133170193
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-1-carboxamide
CID 50868835
N-[(Z)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 133170270
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 50865170
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868948

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide (CID 50864873) is N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide is CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)COc3cccc4ccccc34)cc21.
What is the InChIKey of N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
The InChIKey is BABKUJYWFDUGKO-RWPZCVJISA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-17-14-26(2,3)30(4)23-13-22(27)19(12-21(17)23)15-28-29-25(31)16-32-24-11-7-9-18-8-5-6-10-20(18)24/h5-15H,16H2,1-4H3,(H,29,31)/b28-15+.
What are the key properties of N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide has a molecular weight of 447.97 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 50864873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).