N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide

C15H15N3O3 — CID 155952939

IUPACN-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide
SMILESO=C(CC1CCC(=O)N1)Nc1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C15H15N3O3/c19-13-4-2-11(17-13)8-14(20)18-10-1-3-12-9(7-10)5-6-16-15(12)21/h1,3,5-7,11H,2,4,8H2,(H,16,21)(H,17,19)(H,18,20)
InChIKeyZTGLDSIKFFJOJU-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.14
Rot. Bonds3

About N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide

N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide (PubChem CID 155952939) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide
PubChem CID155952939
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide
SMILESO=C(CC1CCC(=O)N1)Nc1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C15H15N3O3/c19-13-4-2-11(17-13)8-14(20)18-10-1-3-12-9(7-10)5-6-16-15(12)21/h1,3,5-7,11H,2,4,8H2,(H,16,21)(H,17,19)(H,18,20)
InChIKeyZTGLDSIKFFJOJU-UHFFFAOYSA-N
XLogP1.14
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide?
The IUPAC name of N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide (CID 155952939) is N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide.
What is the SMILES notation for N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide?
The canonical SMILES for N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide is O=C(CC1CCC(=O)N1)Nc1ccc2c(=O)[nH]ccc2c1.
What is the InChIKey of N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide?
The InChIKey is ZTGLDSIKFFJOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-13-4-2-11(17-13)8-14(20)18-10-1-3-12-9(7-10)5-6-16-15(12)21/h1,3,5-7,11H,2,4,8H2,(H,16,21)(H,17,19)(H,18,20).
What are the key properties of N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide?
N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide has a molecular weight of 285.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide is sourced from PubChem (CID 155952939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).