8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine

C20H22FN3O — CID 145079164

IUPAC8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESCc1cccc(C/N=C2\Nc3c(F)cccc3NC23CCOCC3)c1
InChIInChI=1S/C20H22FN3O/c1-14-4-2-5-15(12-14)13-22-19-20(8-10-25-11-9-20)24-17-7-3-6-16(21)18(17)23-19/h2-7,12,24H,8-11,13H2,1H3,(H,22,23)
InChIKeyRBMYRMBWUVSCTB-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.12
Rot. Bonds2

About 8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine

8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (PubChem CID 145079164) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.

Molecular Properties

Compound Name8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
PubChem CID145079164
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESCc1cccc(C/N=C2\Nc3c(F)cccc3NC23CCOCC3)c1
InChIInChI=1S/C20H22FN3O/c1-14-4-2-5-15(12-14)13-22-19-20(8-10-25-11-9-20)24-17-7-3-6-16(21)18(17)23-19/h2-7,12,24H,8-11,13H2,1H3,(H,22,23)
InChIKeyRBMYRMBWUVSCTB-UHFFFAOYSA-N
XLogP4.12
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The IUPAC name of 8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (CID 145079164) is 8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.
What is the SMILES notation for 8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The canonical SMILES for 8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is Cc1cccc(C/N=C2\Nc3c(F)cccc3NC23CCOCC3)c1.
What is the InChIKey of 8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The InChIKey is RBMYRMBWUVSCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-14-4-2-5-15(12-14)13-22-19-20(8-10-25-11-9-20)24-17-7-3-6-16(21)18(17)23-19/h2-7,12,24H,8-11,13H2,1H3,(H,22,23).
What are the key properties of 8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine has a molecular weight of 339.41 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[(3-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is sourced from PubChem (CID 145079164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).