3-(8-fluoroisoquinolin-5-yl)propanamide

C12H11FN2O — CID 82578299

IUPAC3-(8-fluoroisoquinolin-5-yl)propanamide
SMILESNC(=O)CCc1ccc(F)c2cnccc12
InChIInChI=1S/C12H11FN2O/c13-11-3-1-8(2-4-12(14)16)9-5-6-15-7-10(9)11/h1,3,5-7H,2,4H2,(H2,14,16)
InChIKeyUOXNRHTUSPSRMG-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.79
Rot. Bonds3

About 3-(8-fluoroisoquinolin-5-yl)propanamide

3-(8-fluoroisoquinolin-5-yl)propanamide (PubChem CID 82578299) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 3-(8-fluoroisoquinolin-5-yl)propanamide.

Molecular Properties

Compound Name3-(8-fluoroisoquinolin-5-yl)propanamide
PubChem CID82578299
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name3-(8-fluoroisoquinolin-5-yl)propanamide
SMILESNC(=O)CCc1ccc(F)c2cnccc12
InChIInChI=1S/C12H11FN2O/c13-11-3-1-8(2-4-12(14)16)9-5-6-15-7-10(9)11/h1,3,5-7H,2,4H2,(H2,14,16)
InChIKeyUOXNRHTUSPSRMG-UHFFFAOYSA-N
XLogP1.79
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(8-fluoroisoquinolin-5-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(8-fluoroisoquinolin-5-yl)propanamide?
The IUPAC name of 3-(8-fluoroisoquinolin-5-yl)propanamide (CID 82578299) is 3-(8-fluoroisoquinolin-5-yl)propanamide.
What is the SMILES notation for 3-(8-fluoroisoquinolin-5-yl)propanamide?
The canonical SMILES for 3-(8-fluoroisoquinolin-5-yl)propanamide is NC(=O)CCc1ccc(F)c2cnccc12.
What is the InChIKey of 3-(8-fluoroisoquinolin-5-yl)propanamide?
The InChIKey is UOXNRHTUSPSRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-11-3-1-8(2-4-12(14)16)9-5-6-15-7-10(9)11/h1,3,5-7H,2,4H2,(H2,14,16).
What are the key properties of 3-(8-fluoroisoquinolin-5-yl)propanamide?
3-(8-fluoroisoquinolin-5-yl)propanamide has a molecular weight of 218.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-fluoroisoquinolin-5-yl)propanamide is sourced from PubChem (CID 82578299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).