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

C17H20N2O3 — CID 2149365

IUPACN-cyclopentyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide
SMILESCOc1cccc2c(=O)n(CC(=O)NC3CCCC3)ccc12
InChIInChI=1S/C17H20N2O3/c1-22-15-8-4-7-14-13(15)9-10-19(17(14)21)11-16(20)18-12-5-2-3-6-12/h4,7-10,12H,2-3,5-6,11H2,1H3,(H,18,20)
InChIKeyFABNZKTWAWUNJM-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.07
Rot. Bonds4

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

N-cyclopentyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide (PubChem CID 2149365) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-cyclopentyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide
PubChem CID2149365
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-cyclopentyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide
SMILESCOc1cccc2c(=O)n(CC(=O)NC3CCCC3)ccc12
InChIInChI=1S/C17H20N2O3/c1-22-15-8-4-7-14-13(15)9-10-19(17(14)21)11-16(20)18-12-5-2-3-6-12/h4,7-10,12H,2-3,5-6,11H2,1H3,(H,18,20)
InChIKeyFABNZKTWAWUNJM-UHFFFAOYSA-N
XLogP2.07
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide (CID 2149365) is N-cyclopentyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide is COc1cccc2c(=O)n(CC(=O)NC3CCCC3)ccc12.
What is the InChIKey of N-cyclopentyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is FABNZKTWAWUNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-22-15-8-4-7-14-13(15)9-10-19(17(14)21)11-16(20)18-12-5-2-3-6-12/h4,7-10,12H,2-3,5-6,11H2,1H3,(H,18,20).
What are the key properties of N-cyclopentyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide?
N-cyclopentyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 2149365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).