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

C27H36N2O — CID 50869674

IUPACN-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCCc1ccc(/N=C/c2cc3c(cc2OC)N(CCC)C(C)(C)C=C3C)cc1
InChIInChI=1S/C27H36N2O/c1-7-9-10-21-11-13-23(14-12-21)28-19-22-16-24-20(3)18-27(4,5)29(15-8-2)25(24)17-26(22)30-6/h11-14,16-19H,7-10,15H2,1-6H3/b28-19+
InChIKeyLAJBDTLFSMVKGF-TURZUDJPSA-N
MW404.60 g/mol
LogP7.20
Rot. Bonds8

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

N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine (PubChem CID 50869674) has the molecular formula C27H36N2O and a molecular weight of 404.60 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
PubChem CID50869674
Molecular FormulaC27H36N2O
Molecular Weight404.60 g/mol
Exact Mass404.28
IUPAC NameN-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCCc1ccc(/N=C/c2cc3c(cc2OC)N(CCC)C(C)(C)C=C3C)cc1
InChIInChI=1S/C27H36N2O/c1-7-9-10-21-11-13-23(14-12-21)28-19-22-16-24-20(3)18-27(4,5)29(15-8-2)25(24)17-26(22)30-6/h11-14,16-19H,7-10,15H2,1-6H3/b28-19+
InChIKeyLAJBDTLFSMVKGF-TURZUDJPSA-N
XLogP7.20
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
4-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzonitrile
CID 50869589
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine
CID 50869837
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867716
N-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50869755
N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline
CID 50868304
1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 50869093
N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50870031
N-(4-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865705
N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50866237
1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865599
N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868575

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The IUPAC name of N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine (CID 50869674) is N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The canonical SMILES for N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine is CCCCc1ccc(/N=C/c2cc3c(cc2OC)N(CCC)C(C)(C)C=C3C)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The InChIKey is LAJBDTLFSMVKGF-TURZUDJPSA-N. The full InChI is InChI=1S/C27H36N2O/c1-7-9-10-21-11-13-23(14-12-21)28-19-22-16-24-20(3)18-27(4,5)29(15-8-2)25(24)17-26(22)30-6/h11-14,16-19H,7-10,15H2,1-6H3/b28-19+.
What are the key properties of N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine has a molecular weight of 404.60 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine is sourced from PubChem (CID 50869674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).