1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine

C27H30N2O2 — CID 50859939

IUPAC1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
SMILESCOc1cc2c(cc1/C=N/c1ccc(Oc3ccccc3)cc1)C(C)CC(C)(C)N2C
InChIInChI=1S/C27H30N2O2/c1-19-17-27(2,3)29(4)25-16-26(30-5)20(15-24(19)25)18-28-21-11-13-23(14-12-21)31-22-9-7-6-8-10-22/h6-16,18-19H,17H2,1-5H3/b28-18+
InChIKeyWGEIHSQLPUBBGU-MTDXEUNCSA-N
MW414.55 g/mol
LogP6.96
Rot. Bonds5

About 1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine

1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine (PubChem CID 50859939) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
PubChem CID50859939
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
SMILESCOc1cc2c(cc1/C=N/c1ccc(Oc3ccccc3)cc1)C(C)CC(C)(C)N2C
InChIInChI=1S/C27H30N2O2/c1-19-17-27(2,3)29(4)25-16-26(30-5)20(15-24(19)25)18-28-21-11-13-23(14-12-21)31-22-9-7-6-8-10-22/h6-16,18-19H,17H2,1-5H3/b28-18+
InChIKeyWGEIHSQLPUBBGU-MTDXEUNCSA-N
XLogP6.96
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine?
The IUPAC name of 1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine (CID 50859939) is 1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine?
The canonical SMILES for 1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine is COc1cc2c(cc1/C=N/c1ccc(Oc3ccccc3)cc1)C(C)CC(C)(C)N2C.
What is the InChIKey of 1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine?
The InChIKey is WGEIHSQLPUBBGU-MTDXEUNCSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-19-17-27(2,3)29(4)25-16-26(30-5)20(15-24(19)25)18-28-21-11-13-23(14-12-21)31-22-9-7-6-8-10-22/h6-16,18-19H,17H2,1-5H3/b28-18+.
What are the key properties of 1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine?
1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine has a molecular weight of 414.55 g/mol, XLogP of 6.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 50859939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).