6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one

C22H15F2NO — CID 171782169

IUPAC6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one
SMILESO=c1c2ccc(-c3ccccc3F)cc2ccn1Cc1ccccc1F
InChIInChI=1S/C22H15F2NO/c23-20-7-3-1-5-17(20)14-25-12-11-16-13-15(9-10-19(16)22(25)26)18-6-2-4-8-21(18)24/h1-13H,14H2
InChIKeyKSUCBZUHHFXTQQ-UHFFFAOYSA-N
MW347.36 g/mol
LogP4.99
Rot. Bonds3

About 6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one

6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one (PubChem CID 171782169) has the molecular formula C22H15F2NO and a molecular weight of 347.36 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one
PubChem CID171782169
Molecular FormulaC22H15F2NO
Molecular Weight347.36 g/mol
Exact Mass347.11
IUPAC Name6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one
SMILESO=c1c2ccc(-c3ccccc3F)cc2ccn1Cc1ccccc1F
InChIInChI=1S/C22H15F2NO/c23-20-7-3-1-5-17(20)14-25-12-11-16-13-15(9-10-19(16)22(25)26)18-6-2-4-8-21(18)24/h1-13H,14H2
InChIKeyKSUCBZUHHFXTQQ-UHFFFAOYSA-N
XLogP4.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one?
The IUPAC name of 6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one (CID 171782169) is 6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one.
What is the SMILES notation for 6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one?
The canonical SMILES for 6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one is O=c1c2ccc(-c3ccccc3F)cc2ccn1Cc1ccccc1F.
What is the InChIKey of 6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one?
The InChIKey is KSUCBZUHHFXTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2NO/c23-20-7-3-1-5-17(20)14-25-12-11-16-13-15(9-10-19(16)22(25)26)18-6-2-4-8-21(18)24/h1-13H,14H2.
What are the key properties of 6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one?
6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one has a molecular weight of 347.36 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one is sourced from PubChem (CID 171782169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).