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

C19H20FN3O — CID 137049889

IUPACN-[(2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESFc1ccccc1C/N=C1\Nc2ccccc2NC12CCOCC2
InChIInChI=1S/C19H20FN3O/c20-15-6-2-1-5-14(15)13-21-18-19(9-11-24-12-10-19)23-17-8-4-3-7-16(17)22-18/h1-8,23H,9-13H2,(H,21,22)
InChIKeyDJRGTLNCBVDVEA-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.81
Rot. Bonds2

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

N-[(2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (PubChem CID 137049889) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
PubChem CID137049889
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC NameN-[(2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESFc1ccccc1C/N=C1\Nc2ccccc2NC12CCOCC2
InChIInChI=1S/C19H20FN3O/c20-15-6-2-1-5-14(15)13-21-18-19(9-11-24-12-10-19)23-17-8-4-3-7-16(17)22-18/h1-8,23H,9-13H2,(H,21,22)
InChIKeyDJRGTLNCBVDVEA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The IUPAC name of N-[(2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (CID 137049889) is N-[(2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is Fc1ccccc1C/N=C1\Nc2ccccc2NC12CCOCC2.
What is the InChIKey of N-[(2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The InChIKey is DJRGTLNCBVDVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-15-6-2-1-5-14(15)13-21-18-19(9-11-24-12-10-19)23-17-8-4-3-7-16(17)22-18/h1-8,23H,9-13H2,(H,21,22).
What are the key properties of N-[(2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
N-[(2-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-[(2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is sourced from PubChem (CID 137049889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).