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

C20H19Cl2FN2 — CID 50865569

IUPACN-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
SMILESCC1=CC(C)(C)N(C)c2cc(F)c(/C=N/c3ccc(Cl)c(Cl)c3)cc21
InChIInChI=1S/C20H19Cl2FN2/c1-12-10-20(2,3)25(4)19-9-18(23)13(7-15(12)19)11-24-14-5-6-16(21)17(22)8-14/h5-11H,1-4H3/b24-11+
InChIKeyXAEVOBGWKVRMSY-BHGWPJFGSA-N
MW377.29 g/mol
LogP6.51
Rot. Bonds2

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

N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine (PubChem CID 50865569) has the molecular formula C20H19Cl2FN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
PubChem CID50865569
Molecular FormulaC20H19Cl2FN2
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC NameN-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
SMILESCC1=CC(C)(C)N(C)c2cc(F)c(/C=N/c3ccc(Cl)c(Cl)c3)cc21
InChIInChI=1S/C20H19Cl2FN2/c1-12-10-20(2,3)25(4)19-9-18(23)13(7-15(12)19)11-24-14-5-6-16(21)17(22)8-14/h5-11H,1-4H3/b24-11+
InChIKeyXAEVOBGWKVRMSY-BHGWPJFGSA-N
XLogP6.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 56.51
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-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865263
N-(4-fluoro-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865604
1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865430
1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50865436
N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867183
1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine
CID 50865168
ethyl 4-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzoate
CID 50865385
N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869612
N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50866237
N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865605
1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 50865470
N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865423

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine (CID 50865569) is N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine is CC1=CC(C)(C)N(C)c2cc(F)c(/C=N/c3ccc(Cl)c(Cl)c3)cc21.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The InChIKey is XAEVOBGWKVRMSY-BHGWPJFGSA-N. The full InChI is InChI=1S/C20H19Cl2FN2/c1-12-10-20(2,3)25(4)19-9-18(23)13(7-15(12)19)11-24-14-5-6-16(21)17(22)8-14/h5-11H,1-4H3/b24-11+.
What are the key properties of N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine has a molecular weight of 377.29 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine is sourced from PubChem (CID 50865569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).