methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate

C25H30N2O2 — CID 50866924

IUPACmethyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate
SMILESCCN1c2cc(C)c(/C=N/c3cc(C(=O)OC)ccc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H30N2O2/c1-8-27-23-11-17(3)20(12-21(23)18(4)14-25(27,5)6)15-26-22-13-19(24(28)29-7)10-9-16(22)2/h9-15H,8H2,1-7H3/b26-15+
InChIKeyLNYIPDWALIJUKT-CVKSISIWSA-N
MW390.53 g/mol
LogP5.86
Rot. Bonds4

About methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate

methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate (PubChem CID 50866924) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate
PubChem CID50866924
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Namemethyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate
SMILESCCN1c2cc(C)c(/C=N/c3cc(C(=O)OC)ccc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H30N2O2/c1-8-27-23-11-17(3)20(12-21(23)18(4)14-25(27,5)6)15-26-22-13-19(24(28)29-7)10-9-16(22)2/h9-15H,8H2,1-7H3/b26-15+
InChIKeyLNYIPDWALIJUKT-CVKSISIWSA-N
XLogP5.86
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate with MolForge

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Related Compounds

methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate
CID 50868984
3-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-4-methylbenzoic acid
CID 50867555
methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate
CID 50867799
methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate
CID 50866348
3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzoic acid
CID 50866984
3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50868976
5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid
CID 50866768
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 50866276
2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide
CID 50866774
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50866938
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide
CID 50866726
N-(4-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate?
The IUPAC name of methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate (CID 50866924) is methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate is CCN1c2cc(C)c(/C=N/c3cc(C(=O)OC)ccc3C)cc2C(C)=CC1(C)C.
What is the InChIKey of methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate?
The InChIKey is LNYIPDWALIJUKT-CVKSISIWSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-8-27-23-11-17(3)20(12-21(23)18(4)14-25(27,5)6)15-26-22-13-19(24(28)29-7)10-9-16(22)2/h9-15H,8H2,1-7H3/b26-15+.
What are the key properties of methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate?
methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate has a molecular weight of 390.53 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate is sourced from PubChem (CID 50866924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).