N-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide

C18H16N2O2 — CID 156906710

IUPACN-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cncc3ccccc23)cc1
InChIInChI=1S/C18H16N2O2/c1-22-15-8-6-13(7-9-15)10-18(21)20-17-12-19-11-14-4-2-3-5-16(14)17/h2-9,11-12H,10H2,1H3,(H,20,21)
InChIKeyKEALMVHBRJFONR-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.42
Rot. Bonds4

About N-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide

N-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide (PubChem CID 156906710) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide
PubChem CID156906710
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cncc3ccccc23)cc1
InChIInChI=1S/C18H16N2O2/c1-22-15-8-6-13(7-9-15)10-18(21)20-17-12-19-11-14-4-2-3-5-16(14)17/h2-9,11-12H,10H2,1H3,(H,20,21)
InChIKeyKEALMVHBRJFONR-UHFFFAOYSA-N
XLogP3.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide (CID 156906710) is N-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cncc3ccccc23)cc1.
What is the InChIKey of N-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide?
The InChIKey is KEALMVHBRJFONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-15-8-6-13(7-9-15)10-18(21)20-17-12-19-11-14-4-2-3-5-16(14)17/h2-9,11-12H,10H2,1H3,(H,20,21).
What are the key properties of N-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide?
N-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-4-yl-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 156906710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).