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

C21H22ClFN2O — CID 50865263

IUPACN-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
SMILESCOc1ccc(/N=C/c2cc3c(cc2F)N(C)C(C)(C)C=C3C)cc1Cl
InChIInChI=1S/C21H22ClFN2O/c1-13-11-21(2,3)25(4)19-10-18(23)14(8-16(13)19)12-24-15-6-7-20(26-5)17(22)9-15/h6-12H,1-5H3/b24-12+
InChIKeyRAKBQIZCTYTDRM-WYMPLXKRSA-N
MW372.87 g/mol
LogP5.87
Rot. Bonds3

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

N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine (PubChem CID 50865263) has the molecular formula C21H22ClFN2O and a molecular weight of 372.87 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
PubChem CID50865263
Molecular FormulaC21H22ClFN2O
Molecular Weight372.87 g/mol
Exact Mass372.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
SMILESCOc1ccc(/N=C/c2cc3c(cc2F)N(C)C(C)(C)C=C3C)cc1Cl
InChIInChI=1S/C21H22ClFN2O/c1-13-11-21(2,3)25(4)19-10-18(23)14(8-16(13)19)12-24-15-6-7-20(26-5)17(22)9-15/h6-12H,1-5H3/b24-12+
InChIKeyRAKBQIZCTYTDRM-WYMPLXKRSA-N
XLogP5.87
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.87
LogP ≤ 55.87
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

N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865569
N-(4-fluoro-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865604
N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50866237
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
N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868209
1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine
CID 50865168
N-(4-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865705
ethyl 4-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzoate
CID 50865385
1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 50866206
1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865599

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine (CID 50865263) is N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine is COc1ccc(/N=C/c2cc3c(cc2F)N(C)C(C)(C)C=C3C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The InChIKey is RAKBQIZCTYTDRM-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H22ClFN2O/c1-13-11-21(2,3)25(4)19-10-18(23)14(8-16(13)19)12-24-15-6-7-20(26-5)17(22)9-15/h6-12H,1-5H3/b24-12+.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine has a molecular weight of 372.87 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine is sourced from PubChem (CID 50865263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).