2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one

C23H14FN3O2 — CID 51364346

IUPAC2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one
SMILESO=c1c2ccccc2c(-c2nc(-c3ccccc3)no2)cn1-c1ccc(F)cc1
InChIInChI=1S/C23H14FN3O2/c24-16-10-12-17(13-11-16)27-14-20(18-8-4-5-9-19(18)23(27)28)22-25-21(26-29-22)15-6-2-1-3-7-15/h1-14H
InChIKeyHVQRCDNXRDQMIF-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.85
Rot. Bonds3

About 2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one

2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one (PubChem CID 51364346) has the molecular formula C23H14FN3O2 and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one
PubChem CID51364346
Molecular FormulaC23H14FN3O2
Molecular Weight383.38 g/mol
Exact Mass383.11
IUPAC Name2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one
SMILESO=c1c2ccccc2c(-c2nc(-c3ccccc3)no2)cn1-c1ccc(F)cc1
InChIInChI=1S/C23H14FN3O2/c24-16-10-12-17(13-11-16)27-14-20(18-8-4-5-9-19(18)23(27)28)22-25-21(26-29-22)15-6-2-1-3-7-15/h1-14H
InChIKeyHVQRCDNXRDQMIF-UHFFFAOYSA-N
XLogP4.85
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one 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

4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53034197
4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)isoquinolin-1-one
CID 53082170
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53007308
4-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53082027
2-(4-chlorophenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]isoquinolin-1-one
CID 51364376
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)isoquinolin-1-one
CID 51364299
4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53034201
2-(3-fluorophenyl)-4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]isoquinolin-1-one
CID 53082196
2-(4-methoxyphenyl)-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]isoquinolin-1-one
CID 45499945
4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-fluorophenyl)isoquinolin-1-one
CID 53082181
2-(3-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one
CID 53082115
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(3,4-dimethylphenyl)isoquinolin-1-one
CID 53082139

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one?
The IUPAC name of 2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one (CID 51364346) is 2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one is O=c1c2ccccc2c(-c2nc(-c3ccccc3)no2)cn1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one?
The InChIKey is HVQRCDNXRDQMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN3O2/c24-16-10-12-17(13-11-16)27-14-20(18-8-4-5-9-19(18)23(27)28)22-25-21(26-29-22)15-6-2-1-3-7-15/h1-14H.
What are the key properties of 2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one?
2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one has a molecular weight of 383.38 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)isoquinolin-1-one is sourced from PubChem (CID 51364346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).