N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine

C20H20F2N2O — CID 149083525

IUPACN-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
SMILESFc1cccc(F)c1C/N=C1\Nc2ccccc2CC12CCOCC2
InChIInChI=1S/C20H20F2N2O/c21-16-5-3-6-17(22)15(16)13-23-19-20(8-10-25-11-9-20)12-14-4-1-2-7-18(14)24-19/h1-7H,8-13H2,(H,23,24)
InChIKeyQQUIFRJVMRVXNN-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.33
Rot. Bonds2

About N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine

N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine (PubChem CID 149083525) has the molecular formula C20H20F2N2O and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
PubChem CID149083525
Molecular FormulaC20H20F2N2O
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC NameN-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
SMILESFc1cccc(F)c1C/N=C1\Nc2ccccc2CC12CCOCC2
InChIInChI=1S/C20H20F2N2O/c21-16-5-3-6-17(22)15(16)13-23-19-20(8-10-25-11-9-20)12-14-4-1-2-7-18(14)24-19/h1-7H,8-13H2,(H,23,24)
InChIKeyQQUIFRJVMRVXNN-UHFFFAOYSA-N
XLogP4.33
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine (CID 149083525) is N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine is Fc1cccc(F)c1C/N=C1\Nc2ccccc2CC12CCOCC2.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The InChIKey is QQUIFRJVMRVXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O/c21-16-5-3-6-17(22)15(16)13-23-19-20(8-10-25-11-9-20)12-14-4-1-2-7-18(14)24-19/h1-7H,8-13H2,(H,23,24).
What are the key properties of N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine has a molecular weight of 342.39 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine is sourced from PubChem (CID 149083525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).