3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline

C22H15FN2O — CID 51359072

IUPAC3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline
SMILESFc1cccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)c1
InChIInChI=1S/C22H15FN2O/c23-17-7-3-5-15(13-17)14-19-21(20-9-4-12-26-20)24-22-18-8-2-1-6-16(18)10-11-25(19)22/h1-13H,14H2
InChIKeyQABSCKLJBHARTE-UHFFFAOYSA-N
MW342.37 g/mol
LogP5.48
Rot. Bonds3

About 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline

3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline (PubChem CID 51359072) has the molecular formula C22H15FN2O and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline
PubChem CID51359072
Molecular FormulaC22H15FN2O
Molecular Weight342.37 g/mol
Exact Mass342.12
IUPAC Name3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline
SMILESFc1cccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)c1
InChIInChI=1S/C22H15FN2O/c23-17-7-3-5-15(13-17)14-19-21(20-9-4-12-26-20)24-22-18-8-2-1-6-16(18)10-11-25(19)22/h1-13H,14H2
InChIKeyQABSCKLJBHARTE-UHFFFAOYSA-N
XLogP5.48
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.37
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline (CID 51359072) is 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline is Fc1cccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline?
The InChIKey is QABSCKLJBHARTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O/c23-17-7-3-5-15(13-17)14-19-21(20-9-4-12-26-20)24-22-18-8-2-1-6-16(18)10-11-25(19)22/h1-13H,14H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline?
3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline has a molecular weight of 342.37 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 51359072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).