5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one

C23H19F2NO2 — CID 2152026

IUPAC5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2cccc(OCc3ccc(F)cc3)c2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C23H19F2NO2/c24-18-8-4-16(5-9-18)14-26-13-12-20-21(23(26)27)2-1-3-22(20)28-15-17-6-10-19(25)11-7-17/h1-11H,12-15H2
InChIKeyDDOJUZFSPWVBJM-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.74
Rot. Bonds5

About 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one

5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 2152026) has the molecular formula C23H19F2NO2 and a molecular weight of 379.41 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
PubChem CID2152026
Molecular FormulaC23H19F2NO2
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2cccc(OCc3ccc(F)cc3)c2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C23H19F2NO2/c24-18-8-4-16(5-9-18)14-26-13-12-20-21(23(26)27)2-1-3-22(20)28-15-17-6-10-19(25)11-7-17/h1-11H,12-15H2
InChIKeyDDOJUZFSPWVBJM-UHFFFAOYSA-N
XLogP4.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one (CID 2152026) is 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one is O=C1c2cccc(OCc3ccc(F)cc3)c2CCN1Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is DDOJUZFSPWVBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO2/c24-18-8-4-16(5-9-18)14-26-13-12-20-21(23(26)27)2-1-3-22(20)28-15-17-6-10-19(25)11-7-17/h1-11H,12-15H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one?
5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 379.41 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 2152026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).