N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine

C22H25ClN2 — CID 50866316

IUPACN-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2ccc(/C=N/c3cc(Cl)ccc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H25ClN2/c1-6-25-21-10-8-17(11-19(21)16(3)13-22(25,4)5)14-24-20-12-18(23)9-7-15(20)2/h7-14H,6H2,1-5H3/b24-14+
InChIKeyXYQZAOZHMLKMHT-ZVHZXABRSA-N
MW352.91 g/mol
LogP6.42
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine

N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine (PubChem CID 50866316) has the molecular formula C22H25ClN2 and a molecular weight of 352.91 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
PubChem CID50866316
Molecular FormulaC22H25ClN2
Molecular Weight352.91 g/mol
Exact Mass352.17
IUPAC NameN-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2ccc(/C=N/c3cc(Cl)ccc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H25ClN2/c1-6-25-21-10-8-17(11-19(21)16(3)13-22(25,4)5)14-24-20-12-18(23)9-7-15(20)2/h7-14H,6H2,1-5H3/b24-14+
InChIKeyXYQZAOZHMLKMHT-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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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine (CID 50866316) is N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine is CCN1c2ccc(/C=N/c3cc(Cl)ccc3C)cc2C(C)=CC1(C)C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
The InChIKey is XYQZAOZHMLKMHT-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H25ClN2/c1-6-25-21-10-8-17(11-19(21)16(3)13-22(25,4)5)14-24-20-12-18(23)9-7-15(20)2/h7-14H,6H2,1-5H3/b24-14+.
What are the key properties of N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine?
N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)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 N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine is sourced from PubChem (CID 50866316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).