1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine

C23H28N2O2 — CID 50867716

IUPAC1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
SMILESCCN1c2cc(OC)c(/C=N/c3ccc(OC)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H28N2O2/c1-7-25-21-13-22(27-6)17(12-20(21)16(2)14-23(25,3)4)15-24-18-8-10-19(26-5)11-9-18/h8-15H,7H2,1-6H3/b24-15+
InChIKeySYDSCWWZZGQMGX-BUVRLJJBSA-N
MW364.49 g/mol
LogP5.48
Rot. Bonds5

About 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine

1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine (PubChem CID 50867716) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
PubChem CID50867716
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
SMILESCCN1c2cc(OC)c(/C=N/c3ccc(OC)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H28N2O2/c1-7-25-21-13-22(27-6)17(12-20(21)16(2)14-23(25,3)4)15-24-18-8-10-19(26-5)11-9-18/h8-15H,7H2,1-6H3/b24-15+
InChIKeySYDSCWWZZGQMGX-BUVRLJJBSA-N
XLogP5.48
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867508
N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline
CID 50868304
N-(4-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865705
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(3-methylphenyl)methanimine
CID 50867977
N-[4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenyl]acetamide
CID 50868239
N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868209
N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868279
4-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzonitrile
CID 50869589
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine
CID 50869837
N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869674
methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate
CID 50867799

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine?
The IUPAC name of 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine (CID 50867716) is 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine.
What is the SMILES notation for 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine?
The canonical SMILES for 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine is CCN1c2cc(OC)c(/C=N/c3ccc(OC)cc3)cc2C(C)=CC1(C)C.
What is the InChIKey of 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine?
The InChIKey is SYDSCWWZZGQMGX-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-7-25-21-13-22(27-6)17(12-20(21)16(2)14-23(25,3)4)15-24-18-8-10-19(26-5)11-9-18/h8-15H,7H2,1-6H3/b24-15+.
What are the key properties of 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine?
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine has a molecular weight of 364.49 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 50867716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).