2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide

C22H20N4O2 — CID 58082451

IUPAC2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc1
InChIInChI=1S/C22H20N4O2/c1-26-14-19(13-24-26)16-5-6-17-12-23-21(11-18(17)10-16)25-22(27)9-15-3-7-20(28-2)8-4-15/h3-8,10-14H,9H2,1-2H3,(H,23,25,27)
InChIKeyOIMAIUJGZFYKCX-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.83
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide

2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide (PubChem CID 58082451) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
PubChem CID58082451
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc1
InChIInChI=1S/C22H20N4O2/c1-26-14-19(13-24-26)16-5-6-17-12-23-21(11-18(17)10-16)25-22(27)9-15-3-7-20(28-2)8-4-15/h3-8,10-14H,9H2,1-2H3,(H,23,25,27)
InChIKeyOIMAIUJGZFYKCX-UHFFFAOYSA-N
XLogP3.83
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide (CID 58082451) is 2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide is COc1ccc(CC(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3cn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide?
The InChIKey is OIMAIUJGZFYKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-26-14-19(13-24-26)16-5-6-17-12-23-21(11-18(17)10-16)25-22(27)9-15-3-7-20(28-2)8-4-15/h3-8,10-14H,9H2,1-2H3,(H,23,25,27).
What are the key properties of 2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide is sourced from PubChem (CID 58082451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).