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

C19H19F2N3O — CID 137104757

IUPACN-[(2,4-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESFc1ccc(C/N=C2\Nc3ccccc3NC23CCOCC3)c(F)c1
InChIInChI=1S/C19H19F2N3O/c20-14-6-5-13(15(21)11-14)12-22-18-19(7-9-25-10-8-19)24-17-4-2-1-3-16(17)23-18/h1-6,11,24H,7-10,12H2,(H,22,23)
InChIKeyCRBJQCSOIPAMLR-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.95
Rot. Bonds2

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

N-[(2,4-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (PubChem CID 137104757) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
PubChem CID137104757
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESFc1ccc(C/N=C2\Nc3ccccc3NC23CCOCC3)c(F)c1
InChIInChI=1S/C19H19F2N3O/c20-14-6-5-13(15(21)11-14)12-22-18-19(7-9-25-10-8-19)24-17-4-2-1-3-16(17)23-18/h1-6,11,24H,7-10,12H2,(H,22,23)
InChIKeyCRBJQCSOIPAMLR-UHFFFAOYSA-N
XLogP3.95
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.95
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-[(2,4-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (CID 137104757) is N-[(2,4-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is Fc1ccc(C/N=C2\Nc3ccccc3NC23CCOCC3)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The InChIKey is CRBJQCSOIPAMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c20-14-6-5-13(15(21)11-14)12-22-18-19(7-9-25-10-8-19)24-17-4-2-1-3-16(17)23-18/h1-6,11,24H,7-10,12H2,(H,22,23).
What are the key properties of N-[(2,4-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
N-[(2,4-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine has a molecular weight of 343.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is sourced from PubChem (CID 137104757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).