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

C20H21Cl2FN2 — CID 50859233

IUPACN-(3-chloro-4-fluorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCC1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C20H21Cl2FN2/c1-12-10-20(2,3)25(4)19-9-16(21)13(7-15(12)19)11-24-14-5-6-18(23)17(22)8-14/h5-9,11-12H,10H2,1-4H3/b24-11+
InChIKeyBDUOINHYYUWBMH-BHGWPJFGSA-N
MW379.31 g/mol
LogP6.61
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50859233) has the molecular formula C20H21Cl2FN2 and a molecular weight of 379.31 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50859233
Molecular FormulaC20H21Cl2FN2
Molecular Weight379.31 g/mol
Exact Mass378.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCC1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C20H21Cl2FN2/c1-12-10-20(2,3)25(4)19-9-16(21)13(7-15(12)19)11-24-14-5-6-18(23)17(22)8-14/h5-9,11-12H,10H2,1-4H3/b24-11+
InChIKeyBDUOINHYYUWBMH-BHGWPJFGSA-N
XLogP6.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.31
LogP ≤ 56.61
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

[1-(4-Chloro-benzyl)-6-trifluoromethyl-1H-quinolin-(4E)-ylidene]-pentyl-amine
CID 10250802
[7-Chloro-1-(2-chloro-benzyl)-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 44298647
N-(3-chloro-2-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 3453339
N-(5-chloro-2-methylphenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 3880155
1-(2-Chloro-6-fluorobenzyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 22194542
1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 22194544
7-Chloro-3-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 24267067
7-Chloro-3-[(4-fluorophenyl)methyl]-6-methyl-1,2,3,4-tetrahydroquinoline
CID 24267252
N-(2,4-difluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50857870
N-(3-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858165
N-(3-chloro-4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858519
N-(4-fluorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858538

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50859233) is N-(3-chloro-4-fluorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is CC1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(F)c(Cl)c3)cc21.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is BDUOINHYYUWBMH-BHGWPJFGSA-N. The full InChI is InChI=1S/C20H21Cl2FN2/c1-12-10-20(2,3)25(4)19-9-16(21)13(7-15(12)19)11-24-14-5-6-18(23)17(22)8-14/h5-9,11-12H,10H2,1-4H3/b24-11+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(3-chloro-4-fluorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 379.31 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50859233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).