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

C30H34N2O2 — CID 50869837

IUPAC1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine
SMILESCCCN1c2cc(OC)c(/C=N/c3ccc(Oc4ccccc4C)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C30H34N2O2/c1-7-16-32-27-18-29(33-6)23(17-26(27)22(3)19-30(32,4)5)20-31-24-12-14-25(15-13-24)34-28-11-9-8-10-21(28)2/h8-15,17-20H,7,16H2,1-6H3/b31-20+
InChIKeyHYOJPUXOYVNOEO-AJBULDERSA-N
MW454.61 g/mol
LogP7.96
Rot. Bonds7

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

1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine (PubChem CID 50869837) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine.

Molecular Properties

Compound Name1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine
PubChem CID50869837
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Name1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine
SMILESCCCN1c2cc(OC)c(/C=N/c3ccc(Oc4ccccc4C)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C30H34N2O2/c1-7-16-32-27-18-29(33-6)23(17-26(27)22(3)19-30(32,4)5)20-31-24-12-14-25(15-13-24)34-28-11-9-8-10-21(28)2/h8-15,17-20H,7,16H2,1-6H3/b31-20+
InChIKeyHYOJPUXOYVNOEO-AJBULDERSA-N
XLogP7.96
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine with MolForge

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Related Compounds

1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 50869093
N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869674
4-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzonitrile
CID 50869589
N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868575
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867716
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868462
N-(4-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865705
N-naphthalen-2-yl-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869022
N-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50869755
1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865599
N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50870031

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine?
The IUPAC name of 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine (CID 50869837) is 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine.
What is the SMILES notation for 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine?
The canonical SMILES for 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine is CCCN1c2cc(OC)c(/C=N/c3ccc(Oc4ccccc4C)cc3)cc2C(C)=CC1(C)C.
What is the InChIKey of 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine?
The InChIKey is HYOJPUXOYVNOEO-AJBULDERSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-7-16-32-27-18-29(33-6)23(17-26(27)22(3)19-30(32,4)5)20-31-24-12-14-25(15-13-24)34-28-11-9-8-10-21(28)2/h8-15,17-20H,7,16H2,1-6H3/b31-20+.
What are the key properties of 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine?
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine has a molecular weight of 454.61 g/mol, XLogP of 7.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine is sourced from PubChem (CID 50869837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).