1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine

C21H24N2O — CID 50865599

IUPAC1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
SMILESCOc1cc2c(cc1/C=N/c1ccccc1)C(C)=CC(C)(C)N2C
InChIInChI=1S/C21H24N2O/c1-15-13-21(2,3)23(4)19-12-20(24-5)16(11-18(15)19)14-22-17-9-7-6-8-10-17/h6-14H,1-5H3/b22-14+
InChIKeyWHOYTSYLNXFQRJ-HYARGMPZSA-N
MW320.44 g/mol
LogP5.08
Rot. Bonds3

About 1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine

1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine (PubChem CID 50865599) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
PubChem CID50865599
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
SMILESCOc1cc2c(cc1/C=N/c1ccccc1)C(C)=CC(C)(C)N2C
InChIInChI=1S/C21H24N2O/c1-15-13-21(2,3)23(4)19-12-20(24-5)16(11-18(15)19)14-22-17-9-7-6-8-10-17/h6-14H,1-5H3/b22-14+
InChIKeyWHOYTSYLNXFQRJ-HYARGMPZSA-N
XLogP5.08
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.08
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-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865854
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-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 50866206
1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865430
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(3-methylphenyl)methanimine
CID 50867977
N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868279
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867716
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine
CID 50869837
N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869674
methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate
CID 50867799

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine?
The IUPAC name of 1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine (CID 50865599) is 1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine.
What is the SMILES notation for 1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine?
The canonical SMILES for 1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine is COc1cc2c(cc1/C=N/c1ccccc1)C(C)=CC(C)(C)N2C.
What is the InChIKey of 1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine?
The InChIKey is WHOYTSYLNXFQRJ-HYARGMPZSA-N. The full InChI is InChI=1S/C21H24N2O/c1-15-13-21(2,3)23(4)19-12-20(24-5)16(11-18(15)19)14-22-17-9-7-6-8-10-17/h6-14H,1-5H3/b22-14+.
What are the key properties of 1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine?
1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine has a molecular weight of 320.44 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine is sourced from PubChem (CID 50865599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).