N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]oxane-4-carboxamide

C22H21FN2O2 — CID 57410483

IUPACN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]oxane-4-carboxamide
SMILESCc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCOCC3)ncc2c1
InChIInChI=1S/C22H21FN2O2/c1-14-2-5-19(23)12-20(14)17-4-3-16-11-21(24-13-18(16)10-17)25-22(26)15-6-8-27-9-7-15/h2-5,10-13,15H,6-9H2,1H3,(H,24,25,26)
InChIKeyMCTGLXDIXYUNJD-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.71
Rot. Bonds3

About N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]oxane-4-carboxamide

N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]oxane-4-carboxamide (PubChem CID 57410483) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]oxane-4-carboxamide
PubChem CID57410483
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]oxane-4-carboxamide
SMILESCc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCOCC3)ncc2c1
InChIInChI=1S/C22H21FN2O2/c1-14-2-5-19(23)12-20(14)17-4-3-16-11-21(24-13-18(16)10-17)25-22(26)15-6-8-27-9-7-15/h2-5,10-13,15H,6-9H2,1H3,(H,24,25,26)
InChIKeyMCTGLXDIXYUNJD-UHFFFAOYSA-N
XLogP4.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]oxane-4-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]oxane-4-carboxamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]oxane-4-carboxamide (CID 57410483) is N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]oxane-4-carboxamide is Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCOCC3)ncc2c1.
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]oxane-4-carboxamide?
The InChIKey is MCTGLXDIXYUNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-14-2-5-19(23)12-20(14)17-4-3-16-11-21(24-13-18(16)10-17)25-22(26)15-6-8-27-9-7-15/h2-5,10-13,15H,6-9H2,1H3,(H,24,25,26).
What are the key properties of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]oxane-4-carboxamide?
N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]oxane-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.71, 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]oxane-4-carboxamide is sourced from PubChem (CID 57410483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).