N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide

C23H27N3O2 — CID 50866217

IUPACN-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide
SMILESCCN1c2ccc(/C=N\NC(=O)c3cccc(OC)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H27N3O2/c1-6-26-21-11-10-17(12-20(21)16(2)14-23(26,3)4)15-24-25-22(27)18-8-7-9-19(13-18)28-5/h7-15H,6H2,1-5H3,(H,25,27)/b24-15-
InChIKeyGUTNNCVEDZNGIN-IWIPYMOSSA-N
MW377.49 g/mol
LogP4.48
Rot. Bonds5

About N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide

N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide (PubChem CID 50866217) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide
PubChem CID50866217
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide
SMILESCCN1c2ccc(/C=N\NC(=O)c3cccc(OC)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H27N3O2/c1-6-26-21-11-10-17(12-20(21)16(2)14-23(26,3)4)15-24-25-22(27)18-8-7-9-19(13-18)28-5/h7-15H,6H2,1-5H3,(H,25,27)/b24-15-
InChIKeyGUTNNCVEDZNGIN-IWIPYMOSSA-N
XLogP4.48
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.48
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-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50866258
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-methoxybenzamide
CID 133170849
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide
CID 133170834
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 50866424
3-bromo-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868220
3-chloro-N-[(Z)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868196
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-4-nitrobenzamide
CID 50866226
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
3-hydroxy-N-[(E)-(1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50864186
N-[(Z)-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-3-methoxybenzamide
CID 124648920
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50866069

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide (CID 50866217) is N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide is CCN1c2ccc(/C=N\NC(=O)c3cccc(OC)c3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide?
The InChIKey is GUTNNCVEDZNGIN-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-6-26-21-11-10-17(12-20(21)16(2)14-23(26,3)4)15-24-25-22(27)18-8-7-9-19(13-18)28-5/h7-15H,6H2,1-5H3,(H,25,27)/b24-15-.
What are the key properties of N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide?
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide has a molecular weight of 377.49 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 50866217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).