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

C21H22ClFN2 — CID 50865436

IUPAC1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(F)c(C)c3)cc21
InChIInChI=1S/C21H22ClFN2/c1-13-8-16(6-7-19(13)23)24-12-15-9-17-14(2)11-21(3,4)25(5)20(17)10-18(15)22/h6-12H,1-5H3/b24-12+
InChIKeyHIBWCQLMKBCIAH-WYMPLXKRSA-N
MW356.87 g/mol
LogP6.17
Rot. Bonds2

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

1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine (PubChem CID 50865436) has the molecular formula C21H22ClFN2 and a molecular weight of 356.87 g/mol. Its IUPAC name is 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
PubChem CID50865436
Molecular FormulaC21H22ClFN2
Molecular Weight356.87 g/mol
Exact Mass356.15
IUPAC Name1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(F)c(C)c3)cc21
InChIInChI=1S/C21H22ClFN2/c1-13-8-16(6-7-19(13)23)24-12-15-9-17-14(2)11-21(3,4)25(5)20(17)10-18(15)22/h6-12H,1-5H3/b24-12+
InChIKeyHIBWCQLMKBCIAH-WYMPLXKRSA-N
XLogP6.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.87
LogP ≤ 56.17
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-(4-fluoro-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865604
1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(3-fluorophenyl)methanimine
CID 50865168
N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865569
N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865263
N-(4-fluoro-3-methylphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868999
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50866938
N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50866237
1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine
CID 50865494
1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865430
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
N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869612

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
The IUPAC name of 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine (CID 50865436) is 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine.
What is the SMILES notation for 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
The canonical SMILES for 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine is CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(F)c(C)c3)cc21.
What is the InChIKey of 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
The InChIKey is HIBWCQLMKBCIAH-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H22ClFN2/c1-13-8-16(6-7-19(13)23)24-12-15-9-17-14(2)11-21(3,4)25(5)20(17)10-18(15)22/h6-12H,1-5H3/b24-12+.
What are the key properties of 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine?
1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine has a molecular weight of 356.87 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine is sourced from PubChem (CID 50865436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).