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

C22H24ClFN2 — CID 50867183

IUPACN-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2cc(F)c(/C=N/c3ccc(C)c(Cl)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H24ClFN2/c1-6-26-21-11-20(24)16(9-18(21)15(3)12-22(26,4)5)13-25-17-8-7-14(2)19(23)10-17/h7-13H,6H2,1-5H3/b25-13+
InChIKeyWEERDSACFFYMTG-DHRITJCHSA-N
MW370.90 g/mol
LogP6.56
Rot. Bonds3

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

N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine (PubChem CID 50867183) has the molecular formula C22H24ClFN2 and a molecular weight of 370.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
PubChem CID50867183
Molecular FormulaC22H24ClFN2
Molecular Weight370.90 g/mol
Exact Mass370.16
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2cc(F)c(/C=N/c3ccc(C)c(Cl)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H24ClFN2/c1-6-26-21-11-20(24)16(9-18(21)15(3)12-22(26,4)5)13-25-17-8-7-14(2)19(23)10-17/h7-13H,6H2,1-5H3/b25-13+
InChIKeyWEERDSACFFYMTG-DHRITJCHSA-N
XLogP6.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.90
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868209
4-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoic acid
CID 50867552
1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867508
N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867579
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50866938
N-(4-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985
N-(1,3-benzodioxol-5-yl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867627
N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865569
3-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-4-methylbenzoic acid
CID 50867555
N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869612
N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine
CID 50867471
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-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine (CID 50867183) is N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine is CCN1c2cc(F)c(/C=N/c3ccc(C)c(Cl)c3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine?
The InChIKey is WEERDSACFFYMTG-DHRITJCHSA-N. The full InChI is InChI=1S/C22H24ClFN2/c1-6-26-21-11-20(24)16(9-18(21)15(3)12-22(26,4)5)13-25-17-8-7-14(2)19(23)10-17/h7-13H,6H2,1-5H3/b25-13+.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine?
N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine has a molecular weight of 370.90 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine is sourced from PubChem (CID 50867183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).