N-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide

C18H22N2O3 — CID 2149366

IUPACN-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide
SMILESCOc1cccc2c(=O)n(CC(=O)NC3CCCCC3)ccc12
InChIInChI=1S/C18H22N2O3/c1-23-16-9-5-8-15-14(16)10-11-20(18(15)22)12-17(21)19-13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7,12H2,1H3,(H,19,21)
InChIKeyHLZNNRVLHLBZJT-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.46
Rot. Bonds4

About N-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide

N-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide (PubChem CID 2149366) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide
PubChem CID2149366
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide
SMILESCOc1cccc2c(=O)n(CC(=O)NC3CCCCC3)ccc12
InChIInChI=1S/C18H22N2O3/c1-23-16-9-5-8-15-14(16)10-11-20(18(15)22)12-17(21)19-13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7,12H2,1H3,(H,19,21)
InChIKeyHLZNNRVLHLBZJT-UHFFFAOYSA-N
XLogP2.46
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide (CID 2149366) is N-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide is COc1cccc2c(=O)n(CC(=O)NC3CCCCC3)ccc12.
What is the InChIKey of N-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is HLZNNRVLHLBZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-23-16-9-5-8-15-14(16)10-11-20(18(15)22)12-17(21)19-13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7,12H2,1H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide?
N-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 314.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 2149366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).