2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide

C18H15ClN2O2 — CID 154872713

IUPAC2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide
SMILESCOc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C18H15ClN2O2/c1-23-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22)
InChIKeyRPTKBNCKDMLWOT-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.08
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide

2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide (PubChem CID 154872713) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide
PubChem CID154872713
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide
SMILESCOc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C18H15ClN2O2/c1-23-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22)
InChIKeyRPTKBNCKDMLWOT-UHFFFAOYSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide (CID 154872713) is 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide is COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide?
The InChIKey is RPTKBNCKDMLWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-23-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22).
What are the key properties of 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide?
2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide has a molecular weight of 326.78 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide is sourced from PubChem (CID 154872713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).