7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione

C22H16FNO3 — CID 25181028

IUPAC7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccc(-c3ccc(F)cc3)cc2C(=O)N1OCc1ccccc1
InChIInChI=1S/C22H16FNO3/c23-19-10-8-16(9-11-19)17-6-7-18-13-21(25)24(22(26)20(18)12-17)27-14-15-4-2-1-3-5-15/h1-12H,13-14H2
InChIKeyKAXNFSJQFMABCO-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.15
Rot. Bonds4

About 7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione

7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione (PubChem CID 25181028) has the molecular formula C22H16FNO3 and a molecular weight of 361.37 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione
PubChem CID25181028
Molecular FormulaC22H16FNO3
Molecular Weight361.37 g/mol
Exact Mass361.11
IUPAC Name7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccc(-c3ccc(F)cc3)cc2C(=O)N1OCc1ccccc1
InChIInChI=1S/C22H16FNO3/c23-19-10-8-16(9-11-19)17-6-7-18-13-21(25)24(22(26)20(18)12-17)27-14-15-4-2-1-3-5-15/h1-12H,13-14H2
InChIKeyKAXNFSJQFMABCO-UHFFFAOYSA-N
XLogP4.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-fluorophenyl)methyl]-2-hydroxy-4H-isoquinoline-1,3-dione
CID 118732915
6-[(2,4-difluorophenyl)methyl]-2-hydroxy-4H-isoquinoline-1,3-dione
CID 118732919
2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione
CID 118732921
CID 118732929
CID 118732929
7-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione
CID 25180840
6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione
CID 56837843
6-(3,4-difluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione
CID 57397169
7-(3,4-difluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione
CID 57397206
6-[[4-(4-fluorophenyl)phenyl]methyl]-2-hydroxy-4H-isoquinoline-1,3-dione
CID 118732923
4-[4-[(2-hydroxy-1,3-dioxo-4H-isoquinolin-6-yl)methyl]phenyl]benzamide
CID 118732928
CID 118732930
CID 118732930
6-([1,1'-Biphenyl]-3-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione
CID 57393626

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione?
The IUPAC name of 7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione (CID 25181028) is 7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione?
The canonical SMILES for 7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione is O=C1Cc2ccc(-c3ccc(F)cc3)cc2C(=O)N1OCc1ccccc1.
What is the InChIKey of 7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione?
The InChIKey is KAXNFSJQFMABCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO3/c23-19-10-8-16(9-11-19)17-6-7-18-13-21(25)24(22(26)20(18)12-17)27-14-15-4-2-1-3-5-15/h1-12H,13-14H2.
What are the key properties of 7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione?
7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione has a molecular weight of 361.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 25181028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).