4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline

C27H29N3 — CID 50866323

IUPAC4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline
SMILESCCN1c2ccc(/C=N/c3ccc(Nc4ccccc4)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C27H29N3/c1-5-30-26-16-11-21(17-25(26)20(2)18-27(30,3)4)19-28-22-12-14-24(15-13-22)29-23-9-7-6-8-10-23/h6-19,29H,5H2,1-4H3/b28-19+
InChIKeyLZVJEPXYTLFDMK-TURZUDJPSA-N
MW395.55 g/mol
LogP7.20
Rot. Bonds5

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

4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline (PubChem CID 50866323) has the molecular formula C27H29N3 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline.

Molecular Properties

Compound Name4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline
PubChem CID50866323
Molecular FormulaC27H29N3
Molecular Weight395.55 g/mol
Exact Mass395.24
IUPAC Name4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline
SMILESCCN1c2ccc(/C=N/c3ccc(Nc4ccccc4)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C27H29N3/c1-5-30-26-16-11-21(17-25(26)20(2)18-27(30,3)4)19-28-22-12-14-24(15-13-22)29-23-9-7-6-8-10-23/h6-19,29H,5H2,1-4H3/b28-19+
InChIKeyLZVJEPXYTLFDMK-TURZUDJPSA-N
XLogP7.20
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50866339
N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50866447
N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868952
N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50866316
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-[(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-(2-methylsulfanylphenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50868485
N-(1-adamantyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
CID 3832411
methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate
CID 50866348
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 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline?
The IUPAC name of 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline (CID 50866323) is 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline.
What is the SMILES notation for 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline?
The canonical SMILES for 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline is CCN1c2ccc(/C=N/c3ccc(Nc4ccccc4)cc3)cc2C(C)=CC1(C)C.
What is the InChIKey of 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline?
The InChIKey is LZVJEPXYTLFDMK-TURZUDJPSA-N. The full InChI is InChI=1S/C27H29N3/c1-5-30-26-16-11-21(17-25(26)20(2)18-27(30,3)4)19-28-22-12-14-24(15-13-22)29-23-9-7-6-8-10-23/h6-19,29H,5H2,1-4H3/b28-19+.
What are the key properties of 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline?
4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline has a molecular weight of 395.55 g/mol, XLogP of 7.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline is sourced from PubChem (CID 50866323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).