N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine

C24H29BrN2O — CID 50870031

IUPACN-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2cc(OC)c(/C=N/c3ccc(Br)cc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C24H29BrN2O/c1-7-10-27-22-13-23(28-6)18(12-20(22)17(3)14-24(27,4)5)15-26-21-9-8-19(25)11-16(21)2/h8-9,11-15H,7,10H2,1-6H3/b26-15+
InChIKeyGSNWBPDBUNJLRG-CVKSISIWSA-N
MW441.41 g/mol
LogP6.93
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine

N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine (PubChem CID 50870031) has the molecular formula C24H29BrN2O and a molecular weight of 441.41 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
PubChem CID50870031
Molecular FormulaC24H29BrN2O
Molecular Weight441.41 g/mol
Exact Mass440.15
IUPAC NameN-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2cc(OC)c(/C=N/c3ccc(Br)cc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C24H29BrN2O/c1-7-10-27-22-13-23(28-6)18(12-20(22)17(3)14-24(27,4)5)15-26-21-9-8-19(25)11-16(21)2/h8-9,11-15H,7,10H2,1-6H3/b26-15+
InChIKeyGSNWBPDBUNJLRG-CVKSISIWSA-N
XLogP6.93
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.41
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine with MolForge

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Related Compounds

1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868462
N-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50869755
N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869674
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 50867566
4-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzonitrile
CID 50869589
methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate
CID 50868984
N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865605
N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868279
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine
CID 50869837
2-(2,4-dibromophenoxy)-N-[(E)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide
CID 50869701
3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50868976

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine (CID 50870031) is N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine is CCCN1c2cc(OC)c(/C=N/c3ccc(Br)cc3C)cc2C(C)=CC1(C)C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The InChIKey is GSNWBPDBUNJLRG-CVKSISIWSA-N. The full InChI is InChI=1S/C24H29BrN2O/c1-7-10-27-22-13-23(28-6)18(12-20(22)17(3)14-24(27,4)5)15-26-21-9-8-19(25)11-16(21)2/h8-9,11-15H,7,10H2,1-6H3/b26-15+.
What are the key properties of N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine has a molecular weight of 441.41 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine is sourced from PubChem (CID 50870031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).