N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine

C30H34N2O — CID 50868575

IUPACN-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2cc(C)c(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C30H34N2O/c1-7-16-32-29-17-22(3)24(18-28(29)23(4)19-30(32,5)6)20-31-25-10-14-27(15-11-25)33-26-12-8-21(2)9-13-26/h8-15,17-20H,7,16H2,1-6H3/b31-20+
InChIKeyUCZXKIZMICTKCM-AJBULDERSA-N
MW438.62 g/mol
LogP8.26
Rot. Bonds6

About N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine

N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine (PubChem CID 50868575) has the molecular formula C30H34N2O and a molecular weight of 438.62 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
PubChem CID50868575
Molecular FormulaC30H34N2O
Molecular Weight438.62 g/mol
Exact Mass438.27
IUPAC NameN-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2cc(C)c(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C30H34N2O/c1-7-16-32-29-17-22(3)24(18-28(29)23(4)19-30(32,5)6)20-31-25-10-14-27(15-11-25)33-26-12-8-21(2)9-13-26/h8-15,17-20H,7,16H2,1-6H3/b31-20+
InChIKeyUCZXKIZMICTKCM-AJBULDERSA-N
XLogP8.26
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869022
N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868952
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868677
N-(4-fluoro-3-methylphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868999
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine
CID 50869837
1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 50869093
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868462
N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50868475
N-(4-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869014
N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869674

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine?
The IUPAC name of N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine (CID 50868575) is N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine.
What is the SMILES notation for N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine?
The canonical SMILES for N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine is CCCN1c2cc(C)c(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine?
The InChIKey is UCZXKIZMICTKCM-AJBULDERSA-N. The full InChI is InChI=1S/C30H34N2O/c1-7-16-32-29-17-22(3)24(18-28(29)23(4)19-30(32,5)6)20-31-25-10-14-27(15-11-25)33-26-12-8-21(2)9-13-26/h8-15,17-20H,7,16H2,1-6H3/b31-20+.
What are the key properties of N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine?
N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine has a molecular weight of 438.62 g/mol, XLogP of 8.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine is sourced from PubChem (CID 50868575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).