1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine

C18H17F3N2O — CID 87105748

IUPAC1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine
SMILESCON=C1CCN(Cc2ccccc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C18H17F3N2O/c1-24-22-16-9-10-23(12-13-5-3-2-4-6-13)17-11-14(18(19,20)21)7-8-15(16)17/h2-8,11H,9-10,12H2,1H3
InChIKeyANKBIKRAIZHEEY-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.47
Rot. Bonds3

About 1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine

1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine (PubChem CID 87105748) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine.

Molecular Properties

Compound Name1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine
PubChem CID87105748
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine
SMILESCON=C1CCN(Cc2ccccc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C18H17F3N2O/c1-24-22-16-9-10-23(12-13-5-3-2-4-6-13)17-11-14(18(19,20)21)7-8-15(16)17/h2-8,11H,9-10,12H2,1H3
InChIKeyANKBIKRAIZHEEY-UHFFFAOYSA-N
XLogP4.47
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine?
The IUPAC name of 1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine (CID 87105748) is 1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine.
What is the SMILES notation for 1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine?
The canonical SMILES for 1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine is CON=C1CCN(Cc2ccccc2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine?
The InChIKey is ANKBIKRAIZHEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-24-22-16-9-10-23(12-13-5-3-2-4-6-13)17-11-14(18(19,20)21)7-8-15(16)17/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine?
1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine has a molecular weight of 334.34 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methoxy-7-(trifluoromethyl)-2,3-dihydroquinolin-4-imine is sourced from PubChem (CID 87105748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).