2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one

C23H18FNO2 — CID 171782153

IUPAC2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one
SMILESCOc1ccc(-c2ccc3c(=O)n(Cc4ccccc4F)ccc3c2)cc1
InChIInChI=1S/C23H18FNO2/c1-27-20-9-6-16(7-10-20)17-8-11-21-18(14-17)12-13-25(23(21)26)15-19-4-2-3-5-22(19)24/h2-14H,15H2,1H3
InChIKeyHAOHETGVNUCEBG-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.86
Rot. Bonds4

About 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one

2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one (PubChem CID 171782153) has the molecular formula C23H18FNO2 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one
PubChem CID171782153
Molecular FormulaC23H18FNO2
Molecular Weight359.40 g/mol
Exact Mass359.13
IUPAC Name2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one
SMILESCOc1ccc(-c2ccc3c(=O)n(Cc4ccccc4F)ccc3c2)cc1
InChIInChI=1S/C23H18FNO2/c1-27-20-9-6-16(7-10-20)17-8-11-21-18(14-17)12-13-25(23(21)26)15-19-4-2-3-5-22(19)24/h2-14H,15H2,1H3
InChIKeyHAOHETGVNUCEBG-UHFFFAOYSA-N
XLogP4.86
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one (CID 171782153) is 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one is COc1ccc(-c2ccc3c(=O)n(Cc4ccccc4F)ccc3c2)cc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one?
The InChIKey is HAOHETGVNUCEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO2/c1-27-20-9-6-16(7-10-20)17-8-11-21-18(14-17)12-13-25(23(21)26)15-19-4-2-3-5-22(19)24/h2-14H,15H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one?
2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one has a molecular weight of 359.40 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)isoquinolin-1-one is sourced from PubChem (CID 171782153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).