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

Name: 6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₁₅F₂NO — CID 171782169

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one
PubChem CID	171782169
Molecular Formula	C₂₂H₁₅F₂NO
Molecular Weight	347.36 g/mol
Exact Mass	347.11
IUPAC Name	6-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl]isoquinolin-1-one
SMILES	O=c1c2ccc(-c3ccccc3F)cc2ccn1Cc1ccccc1F
InChI	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
InChIKey	KSUCBZUHHFXTQQ-UHFFFAOYSA-N
XLogP	4.99
TPSA	22.00 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.36
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 171782169 — identifiers, structure, computed properties (public domain)

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