N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine

C22H25FN2O — CID 50865423

IUPACN-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
SMILESCCOc1ccccc1/N=C/c1cc2c(cc1F)N(C)C(C)(C)C=C2C
InChIInChI=1S/C22H25FN2O/c1-6-26-21-10-8-7-9-19(21)24-14-16-11-17-15(2)13-22(3,4)25(5)20(17)12-18(16)23/h7-14H,6H2,1-5H3/b24-14+
InChIKeyUQBMFAGVKQHSPG-ZVHZXABRSA-N
MW352.45 g/mol
LogP5.61
Rot. Bonds4

About N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine

N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine (PubChem CID 50865423) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
PubChem CID50865423
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC NameN-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
SMILESCCOc1ccccc1/N=C/c1cc2c(cc1F)N(C)C(C)(C)C=C2C
InChIInChI=1S/C22H25FN2O/c1-6-26-21-10-8-7-9-19(21)24-14-16-11-17-15(2)13-22(3,4)25(5)20(17)12-18(16)23/h7-14H,6H2,1-5H3/b24-14+
InChIKeyUQBMFAGVKQHSPG-ZVHZXABRSA-N
XLogP5.61
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.45
LogP ≤ 55.61
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-(2-ethoxyphenyl)-1-(1,2,2,4,7-pentamethylquinolin-6-yl)methanimine
CID 50864699
1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865430
N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869663
N-(4-bromo-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865605
N-(4-fluoro-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865604
ethyl 4-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzoate
CID 50865385
N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865263
1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 50865470
N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865569
N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869014
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868462
1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine
CID 50865494

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The IUPAC name of N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine (CID 50865423) is N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine is CCOc1ccccc1/N=C/c1cc2c(cc1F)N(C)C(C)(C)C=C2C.
What is the InChIKey of N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
The InChIKey is UQBMFAGVKQHSPG-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-6-26-21-10-8-7-9-19(21)24-14-16-11-17-15(2)13-22(3,4)25(5)20(17)12-18(16)23/h7-14H,6H2,1-5H3/b24-14+.
What are the key properties of N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine?
N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine has a molecular weight of 352.45 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine is sourced from PubChem (CID 50865423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).