N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine

C22H25BrN2O — CID 50868279

IUPACN-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2cc(OC)c(/C=N/c3cccc(Br)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H25BrN2O/c1-6-25-20-12-21(26-5)16(10-19(20)15(2)13-22(25,3)4)14-24-18-9-7-8-17(23)11-18/h7-14H,6H2,1-5H3/b24-14+
InChIKeyYCIMOCFAHKNLSC-ZVHZXABRSA-N
MW413.36 g/mol
LogP6.23
Rot. Bonds4

About N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine

N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine (PubChem CID 50868279) has the molecular formula C22H25BrN2O and a molecular weight of 413.36 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
PubChem CID50868279
Molecular FormulaC22H25BrN2O
Molecular Weight413.36 g/mol
Exact Mass412.12
IUPAC NameN-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2cc(OC)c(/C=N/c3cccc(Br)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H25BrN2O/c1-6-25-20-12-21(26-5)16(10-19(20)15(2)13-22(25,3)4)14-24-18-9-7-8-17(23)11-18/h7-14H,6H2,1-5H3/b24-14+
InChIKeyYCIMOCFAHKNLSC-ZVHZXABRSA-N
XLogP6.23
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.36
LogP ≤ 56.23
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

1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(3-methylphenyl)methanimine
CID 50867977
methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate
CID 50867799
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867716
N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline
CID 50868304
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868209
1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865599
N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865854
N-[4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenyl]acetamide
CID 50868239
N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50870031
1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867508
4-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzonitrile
CID 50869589

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine?
The IUPAC name of N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine (CID 50868279) is N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine is CCN1c2cc(OC)c(/C=N/c3cccc(Br)c3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine?
The InChIKey is YCIMOCFAHKNLSC-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H25BrN2O/c1-6-25-20-12-21(26-5)16(10-19(20)15(2)13-22(25,3)4)14-24-18-9-7-8-17(23)11-18/h7-14H,6H2,1-5H3/b24-14+.
What are the key properties of N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine?
N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine has a molecular weight of 413.36 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine is sourced from PubChem (CID 50868279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).