N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide

C27H30N4O3 — CID 50867701

IUPACN-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESCCN1c2cc(OC)c(/C=N\NC(=O)COc3cccc4cccnc34)cc2C(C)=CC1(C)C
InChIInChI=1S/C27H30N4O3/c1-6-31-22-14-24(33-5)20(13-21(22)18(2)15-27(31,3)4)16-29-30-25(32)17-34-23-11-7-9-19-10-8-12-28-26(19)23/h7-16H,6,17H2,1-5H3,(H,30,32)/b29-16-
InChIKeyNUOPRUVAOCYSLK-MWLSYYOVSA-N
MW458.56 g/mol
LogP4.79
Rot. Bonds7

About N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide

N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 50867701) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide
PubChem CID50867701
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESCCN1c2cc(OC)c(/C=N\NC(=O)COc3cccc4cccnc34)cc2C(C)=CC1(C)C
InChIInChI=1S/C27H30N4O3/c1-6-31-22-14-24(33-5)20(13-21(22)18(2)15-27(31,3)4)16-29-30-25(32)17-34-23-11-7-9-19-10-8-12-28-26(19)23/h7-16H,6,17H2,1-5H3,(H,30,32)/b29-16-
InChIKeyNUOPRUVAOCYSLK-MWLSYYOVSA-N
XLogP4.79
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide 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
2-(2,4-dichlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide
CID 50867736
N-[(E)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50866834
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide
CID 50867785
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50866069
2-(2,4-dibromophenoxy)-N-[(E)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide
CID 50869701
N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126023468
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126028828
2-(2-methoxyphenoxy)-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide
CID 5413897
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137063536
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 6898634
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 50866777

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide (CID 50867701) is N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide is CCN1c2cc(OC)c(/C=N\NC(=O)COc3cccc4cccnc34)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The InChIKey is NUOPRUVAOCYSLK-MWLSYYOVSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-6-31-22-14-24(33-5)20(13-21(22)18(2)15-27(31,3)4)16-29-30-25(32)17-34-23-11-7-9-19-10-8-12-28-26(19)23/h7-16H,6,17H2,1-5H3,(H,30,32)/b29-16-.
What are the key properties of N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide?
N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 458.56 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 50867701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).