N-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine

C23H28N2O — CID 50864699

IUPACN-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine
SMILESCCOc1ccccc1/N=C/c1cc2c(cc1C)N(C)C(C)(C)C=C2C
InChIInChI=1S/C23H28N2O/c1-7-26-22-11-9-8-10-20(22)24-15-18-13-19-17(3)14-23(4,5)25(6)21(19)12-16(18)2/h8-15H,7H2,1-6H3/b24-15+
InChIKeyQGXTWLUDCIHREP-BUVRLJJBSA-N
MW348.49 g/mol
LogP5.78
Rot. Bonds4

About N-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine

N-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine (PubChem CID 50864699) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine
PubChem CID50864699
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine
SMILESCCOc1ccccc1/N=C/c1cc2c(cc1C)N(C)C(C)(C)C=C2C
InChIInChI=1S/C23H28N2O/c1-7-26-22-11-9-8-10-20(22)24-15-18-13-19-17(3)14-23(4,5)25(6)21(19)12-16(18)2/h8-15H,7H2,1-6H3/b24-15+
InChIKeyQGXTWLUDCIHREP-BUVRLJJBSA-N
XLogP5.78
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine?
The IUPAC name of N-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine (CID 50864699) is N-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine is CCOc1ccccc1/N=C/c1cc2c(cc1C)N(C)C(C)(C)C=C2C.
What is the InChIKey of N-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine?
The InChIKey is QGXTWLUDCIHREP-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H28N2O/c1-7-26-22-11-9-8-10-20(22)24-15-18-13-19-17(3)14-23(4,5)25(6)21(19)12-16(18)2/h8-15H,7H2,1-6H3/b24-15+.
What are the key properties of N-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine?
N-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine has a molecular weight of 348.49 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine is sourced from PubChem (CID 50864699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).