N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide

C22H22FN3O — CID 57410845

IUPACN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCN(C)C3)ncc2c1
InChIInChI=1S/C22H22FN3O/c1-14-3-6-19(23)11-20(14)16-5-4-15-10-21(24-12-18(15)9-16)25-22(27)17-7-8-26(2)13-17/h3-6,9-12,17H,7-8,13H2,1-2H3,(H,24,25,27)
InChIKeyDDEDFLHHJSCFHE-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.24
Rot. Bonds3

About N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide

N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 57410845) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide
PubChem CID57410845
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide
SMILESCc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCN(C)C3)ncc2c1
InChIInChI=1S/C22H22FN3O/c1-14-3-6-19(23)11-20(14)16-5-4-15-10-21(24-12-18(15)9-16)25-22(27)17-7-8-26(2)13-17/h3-6,9-12,17H,7-8,13H2,1-2H3,(H,24,25,27)
InChIKeyDDEDFLHHJSCFHE-UHFFFAOYSA-N
XLogP4.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide 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 N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide (CID 57410845) is N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide is Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCN(C)C3)ncc2c1.
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is DDEDFLHHJSCFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-14-3-6-19(23)11-20(14)16-5-4-15-10-21(24-12-18(15)9-16)25-22(27)17-7-8-26(2)13-17/h3-6,9-12,17H,7-8,13H2,1-2H3,(H,24,25,27).
What are the key properties of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide?
N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 57410845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).