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

C22H25ClN2 — CID 50867062

IUPAC1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
SMILESCCN1c2cc(Cl)c(/C=N/c3ccccc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H25ClN2/c1-6-25-21-12-19(23)17(11-18(21)16(3)13-22(25,4)5)14-24-20-10-8-7-9-15(20)2/h7-14H,6H2,1-5H3/b24-14+
InChIKeyMXIYARRGHOPPGR-ZVHZXABRSA-N
MW352.91 g/mol
LogP6.42
Rot. Bonds3

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

1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine (PubChem CID 50867062) has the molecular formula C22H25ClN2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
PubChem CID50867062
Molecular FormulaC22H25ClN2
Molecular Weight352.91 g/mol
Exact Mass352.17
IUPAC Name1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
SMILESCCN1c2cc(Cl)c(/C=N/c3ccccc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H25ClN2/c1-6-25-21-12-19(23)17(11-18(21)16(3)13-22(25,4)5)14-24-20-10-8-7-9-15(20)2/h7-14H,6H2,1-5H3/b24-14+
InChIKeyMXIYARRGHOPPGR-ZVHZXABRSA-N
XLogP6.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.91
LogP ≤ 56.42
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-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
CID 50866646
4-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoic acid
CID 50867263
5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol
CID 50867273
1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(3-nitrophenyl)methanimine
CID 50867269
1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine
CID 50865494
N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867579
N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867183
N-(4-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 50866276
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868462
N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869014
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50866938

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine?
The IUPAC name of 1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine (CID 50867062) is 1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine.
What is the SMILES notation for 1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine?
The canonical SMILES for 1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine is CCN1c2cc(Cl)c(/C=N/c3ccccc3C)cc2C(C)=CC1(C)C.
What is the InChIKey of 1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine?
The InChIKey is MXIYARRGHOPPGR-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H25ClN2/c1-6-25-21-12-19(23)17(11-18(21)16(3)13-22(25,4)5)14-24-20-10-8-7-9-15(20)2/h7-14H,6H2,1-5H3/b24-14+.
What are the key properties of 1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine?
1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine has a molecular weight of 352.91 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine is sourced from PubChem (CID 50867062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).