N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine

C22H24ClFN2O — CID 50868209

IUPACN-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2cc(OC)c(/C=N/c3ccc(F)c(Cl)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H24ClFN2O/c1-6-26-20-11-21(27-5)15(9-17(20)14(2)12-22(26,3)4)13-25-16-7-8-19(24)18(23)10-16/h7-13H,6H2,1-5H3/b25-13+
InChIKeyJVFZEJMWROAUOR-DHRITJCHSA-N
MW386.90 g/mol
LogP6.26
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine (PubChem CID 50868209) has the molecular formula C22H24ClFN2O and a molecular weight of 386.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
PubChem CID50868209
Molecular FormulaC22H24ClFN2O
Molecular Weight386.90 g/mol
Exact Mass386.16
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2cc(OC)c(/C=N/c3ccc(F)c(Cl)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H24ClFN2O/c1-6-26-20-11-21(27-5)15(9-17(20)14(2)12-22(26,3)4)13-25-16-7-8-19(24)18(23)10-16/h7-13H,6H2,1-5H3/b25-13+
InChIKeyJVFZEJMWROAUOR-DHRITJCHSA-N
XLogP6.26
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867716
N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867183
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(3-methylphenyl)methanimine
CID 50867977
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50866938
N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline
CID 50868304
N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868279
1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867508
N-(4-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985
N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50866237
N-[4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenyl]acetamide
CID 50868239
methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate
CID 50867799
N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865263

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine (CID 50868209) is N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine is CCN1c2cc(OC)c(/C=N/c3ccc(F)c(Cl)c3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine?
The InChIKey is JVFZEJMWROAUOR-DHRITJCHSA-N. The full InChI is InChI=1S/C22H24ClFN2O/c1-6-26-20-11-21(27-5)15(9-17(20)14(2)12-22(26,3)4)13-25-16-7-8-19(24)18(23)10-16/h7-13H,6H2,1-5H3/b25-13+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine?
N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine has a molecular weight of 386.90 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine is sourced from PubChem (CID 50868209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).