methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate

C24H28N2O3 — CID 50867799

IUPACmethyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate
SMILESCCN1c2cc(OC)c(/C=N/c3cccc(C(=O)OC)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C24H28N2O3/c1-7-26-21-13-22(28-5)18(12-20(21)16(2)14-24(26,3)4)15-25-19-10-8-9-17(11-19)23(27)29-6/h8-15H,7H2,1-6H3/b25-15+
InChIKeyXJIFQWWGKJPGJS-MFKUBSTISA-N
MW392.50 g/mol
LogP5.25
Rot. Bonds5

About methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate

methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate (PubChem CID 50867799) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate
PubChem CID50867799
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Namemethyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate
SMILESCCN1c2cc(OC)c(/C=N/c3cccc(C(=O)OC)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C24H28N2O3/c1-7-26-21-13-22(28-5)18(12-20(21)16(2)14-24(26,3)4)15-25-19-10-8-9-17(11-19)23(27)29-6/h8-15H,7H2,1-6H3/b25-15+
InChIKeyXJIFQWWGKJPGJS-MFKUBSTISA-N
XLogP5.25
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate with MolForge

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Related Compounds

1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(3-methylphenyl)methanimine
CID 50867977
N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868279
N-[4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenyl]acetamide
CID 50868239
3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzoic acid
CID 50866984
methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate
CID 50866924
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867716
N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline
CID 50868304
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868209
1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865599
N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865854
2-(2-chlorophenoxy)-N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide
CID 50867784

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate?
The IUPAC name of methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate (CID 50867799) is methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate.
What is the SMILES notation for methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate?
The canonical SMILES for methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate is CCN1c2cc(OC)c(/C=N/c3cccc(C(=O)OC)c3)cc2C(C)=CC1(C)C.
What is the InChIKey of methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate?
The InChIKey is XJIFQWWGKJPGJS-MFKUBSTISA-N. The full InChI is InChI=1S/C24H28N2O3/c1-7-26-21-13-22(28-5)18(12-20(21)16(2)14-24(26,3)4)15-25-19-10-8-9-17(11-19)23(27)29-6/h8-15H,7H2,1-6H3/b25-15+.
What are the key properties of methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate?
methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate has a molecular weight of 392.50 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate is sourced from PubChem (CID 50867799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).