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

C23H28N2O — CID 50869657

IUPAC1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
SMILESCCCN1c2cc(OC)c(/C=N/c3ccccc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H28N2O/c1-6-12-25-21-14-22(26-5)18(16-24-19-10-8-7-9-11-19)13-20(21)17(2)15-23(25,3)4/h7-11,13-16H,6,12H2,1-5H3/b24-16+
InChIKeyAMBBBZWDXWWHHZ-LFVJCYFKSA-N
MW348.49 g/mol
LogP5.86
Rot. Bonds5

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

1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine (PubChem CID 50869657) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
PubChem CID50869657
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
SMILESCCCN1c2cc(OC)c(/C=N/c3ccccc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H28N2O/c1-6-12-25-21-14-22(26-5)18(16-24-19-10-8-7-9-11-19)13-20(21)17(2)15-23(25,3)4/h7-11,13-16H,6,12H2,1-5H3/b24-16+
InChIKeyAMBBBZWDXWWHHZ-LFVJCYFKSA-N
XLogP5.86
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.86
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-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869674
1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865599
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine
CID 50869837
4-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzonitrile
CID 50869589
N-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50869755
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(3-methylphenyl)methanimine
CID 50867977
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868462
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867716
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-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868279
N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868952

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine?
The IUPAC name of 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine (CID 50869657) is 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine.
What is the SMILES notation for 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine?
The canonical SMILES for 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine is CCCN1c2cc(OC)c(/C=N/c3ccccc3)cc2C(C)=CC1(C)C.
What is the InChIKey of 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine?
The InChIKey is AMBBBZWDXWWHHZ-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H28N2O/c1-6-12-25-21-14-22(26-5)18(16-24-19-10-8-7-9-11-19)13-20(21)17(2)15-23(25,3)4/h7-11,13-16H,6,12H2,1-5H3/b24-16+.
What are the key properties of 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine?
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine has a molecular weight of 348.49 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine is sourced from PubChem (CID 50869657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).