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

C21H23ClN2O — CID 50866237

IUPACN-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
SMILESCOc1cc2c(cc1/C=N/c1ccc(Cl)cc1)C(C)=CC(C)(C)N2C
InChIInChI=1S/C21H23ClN2O/c1-14-12-21(2,3)24(4)19-11-20(25-5)15(10-18(14)19)13-23-17-8-6-16(22)7-9-17/h6-13H,1-5H3/b23-13+
InChIKeyGSFFDEQJDVSARU-YDZHTSKRSA-N
MW354.88 g/mol
LogP5.73
Rot. Bonds3

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

N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine (PubChem CID 50866237) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
PubChem CID50866237
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC NameN-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
SMILESCOc1cc2c(cc1/C=N/c1ccc(Cl)cc1)C(C)=CC(C)(C)N2C
InChIInChI=1S/C21H23ClN2O/c1-14-12-21(2,3)24(4)19-11-20(25-5)15(10-18(14)19)13-23-17-8-6-16(22)7-9-17/h6-13H,1-5H3/b23-13+
InChIKeyGSFFDEQJDVSARU-YDZHTSKRSA-N
XLogP5.73
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.88
LogP ≤ 55.73
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-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865705
1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 50866206
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-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865263
N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868209
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867716
1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50865436
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865569
N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869674
N-(4-fluoro-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865604

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine (CID 50866237) is N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine is COc1cc2c(cc1/C=N/c1ccc(Cl)cc1)C(C)=CC(C)(C)N2C.
What is the InChIKey of N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The InChIKey is GSFFDEQJDVSARU-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H23ClN2O/c1-14-12-21(2,3)24(4)19-11-20(25-5)15(10-18(14)19)13-23-17-8-6-16(22)7-9-17/h6-13H,1-5H3/b23-13+.
What are the key properties of N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine has a molecular weight of 354.88 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine is sourced from PubChem (CID 50866237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).