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

C20H21FN2O — CID 148591767

IUPACN-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
SMILESFc1cccc(C/N=C2\Nc3ccccc3CC23CCOCC3)c1
InChIInChI=1S/C20H21FN2O/c21-17-6-3-4-15(12-17)14-22-19-20(8-10-24-11-9-20)13-16-5-1-2-7-18(16)23-19/h1-7,12H,8-11,13-14H2,(H,22,23)
InChIKeyNAUAKLOLUUVNOQ-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.19
Rot. Bonds2

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

N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine (PubChem CID 148591767) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
PubChem CID148591767
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC NameN-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
SMILESFc1cccc(C/N=C2\Nc3ccccc3CC23CCOCC3)c1
InChIInChI=1S/C20H21FN2O/c21-17-6-3-4-15(12-17)14-22-19-20(8-10-24-11-9-20)13-16-5-1-2-7-18(16)23-19/h1-7,12H,8-11,13-14H2,(H,22,23)
InChIKeyNAUAKLOLUUVNOQ-UHFFFAOYSA-N
XLogP4.19
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.19
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-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The IUPAC name of N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine (CID 148591767) is N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine is Fc1cccc(C/N=C2\Nc3ccccc3CC23CCOCC3)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The InChIKey is NAUAKLOLUUVNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-17-6-3-4-15(12-17)14-22-19-20(8-10-24-11-9-20)13-16-5-1-2-7-18(16)23-19/h1-7,12H,8-11,13-14H2,(H,22,23).
What are the key properties of N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine has a molecular weight of 324.40 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine is sourced from PubChem (CID 148591767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).