1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine

C20H20ClFN2 — CID 50865168

IUPAC1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3cccc(F)c3)cc21
InChIInChI=1S/C20H20ClFN2/c1-13-11-20(2,3)24(4)19-10-18(21)14(8-17(13)19)12-23-16-7-5-6-15(22)9-16/h5-12H,1-4H3/b23-12+
InChIKeyPRPYUJCTBKPZFB-FSJBWODESA-N
MW342.85 g/mol
LogP5.86
Rot. Bonds2

About 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine

1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine (PubChem CID 50865168) has the molecular formula C20H20ClFN2 and a molecular weight of 342.85 g/mol. Its IUPAC name is 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine
PubChem CID50865168
Molecular FormulaC20H20ClFN2
Molecular Weight342.85 g/mol
Exact Mass342.13
IUPAC Name1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3cccc(F)c3)cc21
InChIInChI=1S/C20H20ClFN2/c1-13-11-20(2,3)24(4)19-10-18(21)14(8-17(13)19)12-23-16-7-5-6-15(22)9-16/h5-12H,1-4H3/b23-12+
InChIKeyPRPYUJCTBKPZFB-FSJBWODESA-N
XLogP5.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.85
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine?
The IUPAC name of 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine (CID 50865168) is 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine.
What is the SMILES notation for 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine?
The canonical SMILES for 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine is CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3cccc(F)c3)cc21.
What is the InChIKey of 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine?
The InChIKey is PRPYUJCTBKPZFB-FSJBWODESA-N. The full InChI is InChI=1S/C20H20ClFN2/c1-13-11-20(2,3)24(4)19-10-18(21)14(8-17(13)19)12-23-16-7-5-6-15(22)9-16/h5-12H,1-4H3/b23-12+.
What are the key properties of 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine?
1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine has a molecular weight of 342.85 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine is sourced from PubChem (CID 50865168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).