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

C24H28N2O2 — CID 50866348

IUPACmethyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate
SMILESCCN1c2ccc(/C=N/c3ccc(C(=O)OC)cc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C24H28N2O2/c1-7-26-22-11-8-18(13-20(22)17(3)14-24(26,4)5)15-25-21-10-9-19(12-16(21)2)23(27)28-6/h8-15H,7H2,1-6H3/b25-15+
InChIKeyVEUQSBYWPNAYHS-MFKUBSTISA-N
MW376.50 g/mol
LogP5.55
Rot. Bonds4

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

methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate (PubChem CID 50866348) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate
PubChem CID50866348
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Namemethyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate
SMILESCCN1c2ccc(/C=N/c3ccc(C(=O)OC)cc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C24H28N2O2/c1-7-26-22-11-8-18(13-20(22)17(3)14-24(26,4)5)15-25-21-10-9-19(12-16(21)2)23(27)28-6/h8-15H,7H2,1-6H3/b25-15+
InChIKeyVEUQSBYWPNAYHS-MFKUBSTISA-N
XLogP5.55
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-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
methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate
CID 50866924
4-methyl-3-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50868445
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-4-nitrobenzamide
CID 50866226
N-(4-bromophenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50866339
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide
CID 133170834
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-(4-methoxyphenyl)acetamide
CID 50866424
methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate
CID 50867799
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-methoxybenzamide
CID 133170849
N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50866447
methyl 4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-methylbenzoate
CID 126107267

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate?
The IUPAC name of methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate (CID 50866348) is methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate is CCN1c2ccc(/C=N/c3ccc(C(=O)OC)cc3C)cc2C(C)=CC1(C)C.
What is the InChIKey of methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate?
The InChIKey is VEUQSBYWPNAYHS-MFKUBSTISA-N. The full InChI is InChI=1S/C24H28N2O2/c1-7-26-22-11-8-18(13-20(22)17(3)14-24(26,4)5)15-25-21-10-9-19(12-16(21)2)23(27)28-6/h8-15H,7H2,1-6H3/b25-15+.
What are the key properties of methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate?
methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate has a molecular weight of 376.50 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoate is sourced from PubChem (CID 50866348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).