1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine

C23H28N2 — CID 50866646

IUPAC1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
SMILESCCN1c2cc(C)c(/C=N/c3ccccc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H28N2/c1-7-25-22-12-17(3)19(13-20(22)18(4)14-23(25,5)6)15-24-21-11-9-8-10-16(21)2/h8-15H,7H2,1-6H3/b24-15+
InChIKeyMMIZZYJAKFOBSL-BUVRLJJBSA-N
MW332.49 g/mol
LogP6.08
Rot. Bonds3

About 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine

1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine (PubChem CID 50866646) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
PubChem CID50866646
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
SMILESCCN1c2cc(C)c(/C=N/c3ccccc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H28N2/c1-7-25-22-12-17(3)19(13-20(22)18(4)14-23(25,5)6)15-24-21-11-9-8-10-16(21)2/h8-15H,7H2,1-6H3/b24-15+
InChIKeyMMIZZYJAKFOBSL-BUVRLJJBSA-N
XLogP6.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
CID 50867062
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 50866276
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868462
N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869014
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50866938
N-(4-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985
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
N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866388
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide
CID 50866726
N-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine
CID 50864699
N-naphthalen-2-yl-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869022

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine?
The IUPAC name of 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine (CID 50866646) is 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine.
What is the SMILES notation for 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine?
The canonical SMILES for 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine is CCN1c2cc(C)c(/C=N/c3ccccc3C)cc2C(C)=CC1(C)C.
What is the InChIKey of 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine?
The InChIKey is MMIZZYJAKFOBSL-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H28N2/c1-7-25-22-12-17(3)19(13-20(22)18(4)14-23(25,5)6)15-24-21-11-9-8-10-16(21)2/h8-15H,7H2,1-6H3/b24-15+.
What are the key properties of 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine?
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine has a molecular weight of 332.49 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine is sourced from PubChem (CID 50866646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).