N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide

C27H29N3O2 — CID 50866069

IUPACN-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
SMILESCCN1c2ccc(/C=N/NC(=O)COc3cccc4ccccc34)cc2C(C)=CC1(C)C
InChIInChI=1S/C27H29N3O2/c1-5-30-24-14-13-20(15-23(24)19(2)16-27(30,3)4)17-28-29-26(31)18-32-25-12-8-10-21-9-6-7-11-22(21)25/h6-17H,5,18H2,1-4H3,(H,29,31)/b28-17+
InChIKeyILYCSANAYWAKOX-OGLMXYFKSA-N
MW427.55 g/mol
LogP5.39
Rot. Bonds6

About N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide

N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide (PubChem CID 50866069) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
PubChem CID50866069
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
SMILESCCN1c2ccc(/C=N/NC(=O)COc3cccc4ccccc34)cc2C(C)=CC1(C)C
InChIInChI=1S/C27H29N3O2/c1-5-30-24-14-13-20(15-23(24)19(2)16-27(30,3)4)17-28-29-26(31)18-32-25-12-8-10-21-9-6-7-11-22(21)25/h6-17H,5,18H2,1-4H3,(H,29,31)/b28-17+
InChIKeyILYCSANAYWAKOX-OGLMXYFKSA-N
XLogP5.39
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.39
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)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50866834
2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
CID 133170800
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50866258
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50864873
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-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 50867701
2-(2-chlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide
CID 50867784
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-fluorobenzamide
CID 50866202
2-bromo-N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzamide
CID 133170826
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide
CID 133170834

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide (CID 50866069) is N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide is CCN1c2ccc(/C=N/NC(=O)COc3cccc4ccccc34)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
The InChIKey is ILYCSANAYWAKOX-OGLMXYFKSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-5-30-24-14-13-20(15-23(24)19(2)16-27(30,3)4)17-28-29-26(31)18-32-25-12-8-10-21-9-6-7-11-22(21)25/h6-17H,5,18H2,1-4H3,(H,29,31)/b28-17+.
What are the key properties of N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide has a molecular weight of 427.55 g/mol, XLogP of 5.39, 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-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 50866069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).