1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine

C23H27FN2 — CID 50866938

IUPAC1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
SMILESCCN1c2cc(C)c(/C=N/c3ccc(F)c(C)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H27FN2/c1-7-26-22-11-15(2)18(12-20(22)17(4)13-23(26,5)6)14-25-19-8-9-21(24)16(3)10-19/h8-14H,7H2,1-6H3/b25-14+
InChIKeyFVCNUAIPKNUHEI-AFUMVMLFSA-N
MW350.48 g/mol
LogP6.21
Rot. Bonds3

About 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine

1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine (PubChem CID 50866938) has the molecular formula C23H27FN2 and a molecular weight of 350.48 g/mol. Its IUPAC name is 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
PubChem CID50866938
Molecular FormulaC23H27FN2
Molecular Weight350.48 g/mol
Exact Mass350.22
IUPAC Name1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
SMILESCCN1c2cc(C)c(/C=N/c3ccc(F)c(C)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H27FN2/c1-7-26-22-11-15(2)18(12-20(22)17(4)13-23(26,5)6)14-25-19-8-9-21(24)16(3)10-19/h8-14H,7H2,1-6H3/b25-14+
InChIKeyFVCNUAIPKNUHEI-AFUMVMLFSA-N
XLogP6.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.48
LogP ≤ 56.21
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

N-(4-fluoro-3-methylphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868999
N-(4-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985
N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867183
N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868209
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
CID 50866646
N-(4-fluoro-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865604
N-(4-butan-2-ylphenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866388
5-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-hydroxybenzoic acid
CID 50866768
3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzoic acid
CID 50866984
1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867508
1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50865436
N-(1,3-benzodioxol-5-yl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867627

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
The IUPAC name of 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine (CID 50866938) is 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine.
What is the SMILES notation for 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
The canonical SMILES for 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine is CCN1c2cc(C)c(/C=N/c3ccc(F)c(C)c3)cc2C(C)=CC1(C)C.
What is the InChIKey of 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
The InChIKey is FVCNUAIPKNUHEI-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H27FN2/c1-7-26-22-11-15(2)18(12-20(22)17(4)13-23(26,5)6)14-25-19-8-9-21(24)16(3)10-19/h8-14H,7H2,1-6H3/b25-14+.
What are the key properties of 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine has a molecular weight of 350.48 g/mol, XLogP of 6.21, 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-(4-fluoro-3-methylphenyl)methanimine is sourced from PubChem (CID 50866938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).