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

C27H28ClN3O2 — CID 50866834

IUPACN-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
SMILESCCN1c2cc(Cl)c(/C=N/NC(=O)COc3cccc4ccccc34)cc2C(C)=CC1(C)C
InChIInChI=1S/C27H28ClN3O2/c1-5-31-24-14-23(28)20(13-22(24)18(2)15-27(31,3)4)16-29-30-26(32)17-33-25-12-8-10-19-9-6-7-11-21(19)25/h6-16H,5,17H2,1-4H3,(H,30,32)/b29-16+
InChIKeyUVQNTCVHLCSGPG-MUFRIFMGSA-N
MW461.99 g/mol
LogP6.04
Rot. Bonds6

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

N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide (PubChem CID 50866834) has the molecular formula C27H28ClN3O2 and a molecular weight of 461.99 g/mol. Its IUPAC name is N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
PubChem CID50866834
Molecular FormulaC27H28ClN3O2
Molecular Weight461.99 g/mol
Exact Mass461.19
IUPAC NameN-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
SMILESCCN1c2cc(Cl)c(/C=N/NC(=O)COc3cccc4ccccc34)cc2C(C)=CC1(C)C
InChIInChI=1S/C27H28ClN3O2/c1-5-31-24-14-23(28)20(13-22(24)18(2)15-27(31,3)4)16-29-30-26(32)17-33-25-12-8-10-19-9-6-7-11-21(19)25/h6-16H,5,17H2,1-4H3,(H,30,32)/b29-16+
InChIKeyUVQNTCVHLCSGPG-MUFRIFMGSA-N
XLogP6.04
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.99
LogP ≤ 56.04
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-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide with MolForge

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Related Compounds

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-naphthalen-1-yloxyacetamide
CID 50866069
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-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide
CID 50867736
N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 50866711
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]naphthalene-1-carboxamide
CID 50864943
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 50866777
N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 50866866
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868948
2-(2-chlorophenoxy)-N-[(Z)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
CID 133170800

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide (CID 50866834) is N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide is CCN1c2cc(Cl)c(/C=N/NC(=O)COc3cccc4ccccc34)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
The InChIKey is UVQNTCVHLCSGPG-MUFRIFMGSA-N. The full InChI is InChI=1S/C27H28ClN3O2/c1-5-31-24-14-23(28)20(13-22(24)18(2)15-27(31,3)4)16-29-30-26(32)17-33-25-12-8-10-19-9-6-7-11-21(19)25/h6-16H,5,17H2,1-4H3,(H,30,32)/b29-16+.
What are the key properties of N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide?
N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide has a molecular weight of 461.99 g/mol, XLogP of 6.04, 6 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-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 50866834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).