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

C19H20FN3O — CID 137104927

IUPACN-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESFc1cccc(C/N=C2\Nc3ccccc3NC23CCOCC3)c1
InChIInChI=1S/C19H20FN3O/c20-15-5-3-4-14(12-15)13-21-18-19(8-10-24-11-9-19)23-17-7-2-1-6-16(17)22-18/h1-7,12,23H,8-11,13H2,(H,21,22)
InChIKeyHMJZERSQLCWZCL-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.81
Rot. Bonds2

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

N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (PubChem CID 137104927) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
PubChem CID137104927
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC NameN-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESFc1cccc(C/N=C2\Nc3ccccc3NC23CCOCC3)c1
InChIInChI=1S/C19H20FN3O/c20-15-5-3-4-14(12-15)13-21-18-19(8-10-24-11-9-19)23-17-7-2-1-6-16(17)22-18/h1-7,12,23H,8-11,13H2,(H,21,22)
InChIKeyHMJZERSQLCWZCL-UHFFFAOYSA-N
XLogP3.81
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The IUPAC name of N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (CID 137104927) is N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is Fc1cccc(C/N=C2\Nc3ccccc3NC23CCOCC3)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The InChIKey is HMJZERSQLCWZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-15-5-3-4-14(12-15)13-21-18-19(8-10-24-11-9-19)23-17-7-2-1-6-16(17)22-18/h1-7,12,23H,8-11,13H2,(H,21,22).
What are the key properties of N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine has a molecular weight of 325.39 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is sourced from PubChem (CID 137104927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).