1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine

C20H21FN2 — CID 50865430

IUPAC1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
SMILESCC1=CC(C)(C)N(C)c2cc(F)c(/C=N/c3ccccc3)cc21
InChIInChI=1S/C20H21FN2/c1-14-12-20(2,3)23(4)19-11-18(21)15(10-17(14)19)13-22-16-8-6-5-7-9-16/h5-13H,1-4H3/b22-13+
InChIKeyJOZBLJPNEULCND-LPYMAVHISA-N
MW308.40 g/mol
LogP5.21
Rot. Bonds2

About 1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine

1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine (PubChem CID 50865430) has the molecular formula C20H21FN2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
PubChem CID50865430
Molecular FormulaC20H21FN2
Molecular Weight308.40 g/mol
Exact Mass308.17
IUPAC Name1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
SMILESCC1=CC(C)(C)N(C)c2cc(F)c(/C=N/c3ccccc3)cc21
InChIInChI=1S/C20H21FN2/c1-14-12-20(2,3)23(4)19-11-18(21)15(10-17(14)19)13-22-16-8-6-5-7-9-16/h5-13H,1-4H3/b22-13+
InChIKeyJOZBLJPNEULCND-LPYMAVHISA-N
XLogP5.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.40
LogP ≤ 55.21
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-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865604
1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865599
N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865569
ethyl 4-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzoate
CID 50865385
N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865263
N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865423
1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine
CID 50865168
N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865605
N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869612
1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50865436
1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 50865470
N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50866237

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine?
The IUPAC name of 1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine (CID 50865430) is 1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine.
What is the SMILES notation for 1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine?
The canonical SMILES for 1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine is CC1=CC(C)(C)N(C)c2cc(F)c(/C=N/c3ccccc3)cc21.
What is the InChIKey of 1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine?
The InChIKey is JOZBLJPNEULCND-LPYMAVHISA-N. The full InChI is InChI=1S/C20H21FN2/c1-14-12-20(2,3)23(4)19-11-18(21)15(10-17(14)19)13-22-16-8-6-5-7-9-16/h5-13H,1-4H3/b22-13+.
What are the key properties of 1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine?
1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine has a molecular weight of 308.40 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine is sourced from PubChem (CID 50865430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).