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

C29H31ClN2O2 — CID 50869093

IUPAC1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
SMILESCCCN1c2cc(Cl)c(/C=N/c3ccc(Oc4ccccc4OC)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C29H31ClN2O2/c1-6-15-32-26-17-25(30)21(16-24(26)20(2)18-29(32,3)4)19-31-22-11-13-23(14-12-22)34-28-10-8-7-9-27(28)33-5/h7-14,16-19H,6,15H2,1-5H3/b31-19+
InChIKeyIZUBEYUASVVDAX-ZCTHSVRISA-N
MW475.03 g/mol
LogP8.30
Rot. Bonds7

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

1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine (PubChem CID 50869093) has the molecular formula C29H31ClN2O2 and a molecular weight of 475.03 g/mol. Its IUPAC name is 1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine.

Molecular Properties

Compound Name1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
PubChem CID50869093
Molecular FormulaC29H31ClN2O2
Molecular Weight475.03 g/mol
Exact Mass474.21
IUPAC Name1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
SMILESCCCN1c2cc(Cl)c(/C=N/c3ccc(Oc4ccccc4OC)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C29H31ClN2O2/c1-6-15-32-26-17-25(30)21(16-24(26)20(2)18-29(32,3)4)19-31-22-11-13-23(14-12-22)34-28-10-8-7-9-27(28)33-5/h7-14,16-19H,6,15H2,1-5H3/b31-19+
InChIKeyIZUBEYUASVVDAX-ZCTHSVRISA-N
XLogP8.30
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.03
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine
CID 50869837
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868575
N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869674
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868462
N-naphthalen-2-yl-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869022
4-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzonitrile
CID 50869589
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867716
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868938
N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868952
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868948
1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867508

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine?
The IUPAC name of 1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine (CID 50869093) is 1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine.
What is the SMILES notation for 1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine?
The canonical SMILES for 1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine is CCCN1c2cc(Cl)c(/C=N/c3ccc(Oc4ccccc4OC)cc3)cc2C(C)=CC1(C)C.
What is the InChIKey of 1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine?
The InChIKey is IZUBEYUASVVDAX-ZCTHSVRISA-N. The full InChI is InChI=1S/C29H31ClN2O2/c1-6-15-32-26-17-25(30)21(16-24(26)20(2)18-29(32,3)4)19-31-22-11-13-23(14-12-22)34-28-10-8-7-9-27(28)33-5/h7-14,16-19H,6,15H2,1-5H3/b31-19+.
What are the key properties of 1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine?
1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine has a molecular weight of 475.03 g/mol, XLogP of 8.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine is sourced from PubChem (CID 50869093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).